N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide

C25H37N5O3 — CID 135233340

IUPACN-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide
SMILESCN(N=O)c1nc(C2=CC3CN(C(=O)C4(O)CCCCC4)CC3C2)ccc1NCC(C)(C)C
InChIInChI=1S/C25H37N5O3/c1-24(2,3)16-26-21-9-8-20(27-22(21)29(4)28-33)17-12-18-14-30(15-19(18)13-17)23(31)25(32)10-6-5-7-11-25/h8-9,12,18-19,26,32H,5-7,10-11,13-16H2,1-4H3
InChIKeyMPGOLDJPZYTYGZ-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.21
Rot. Bonds6

About N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide

N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide (PubChem CID 135233340) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide
PubChem CID135233340
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide
SMILESCN(N=O)c1nc(C2=CC3CN(C(=O)C4(O)CCCCC4)CC3C2)ccc1NCC(C)(C)C
InChIInChI=1S/C25H37N5O3/c1-24(2,3)16-26-21-9-8-20(27-22(21)29(4)28-33)17-12-18-14-30(15-19(18)13-17)23(31)25(32)10-6-5-7-11-25/h8-9,12,18-19,26,32H,5-7,10-11,13-16H2,1-4H3
InChIKeyMPGOLDJPZYTYGZ-UHFFFAOYSA-N
XLogP4.21
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,2-dimethylpropylamino)-6-[2-[(2S)-2-hydroxypropanoyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide
CID 135233262
1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 71140713
N-[4-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]-2-pyridinyl]cyclohex-3-en-1-yl]-2-(1,3,2,4-dioxathiazinan-4-yl)acetamide
CID 135233666
1-[5-[1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-5-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-hydroxy-2-methylpropan-1-one
CID 71119170
5-[2-(3,3-difluoro-2-hydroxy-2-methylpropanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71117416
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
tert-butyl 5-(phenylmethoxyamino)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 57042903
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
tert-butyl 5-thiophen-2-yl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;methane
CID 157154723
[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone
CID 135233845
2-(1-hydroxycyclohexyl)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 175655827
(1-hydroxycyclopropyl)-[3-(methylamino)azetidin-1-yl]methanone
CID 118473852

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide?
The IUPAC name of N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide (CID 135233340) is N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide.
What is the SMILES notation for N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide?
The canonical SMILES for N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide is CN(N=O)c1nc(C2=CC3CN(C(=O)C4(O)CCCCC4)CC3C2)ccc1NCC(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide?
The InChIKey is MPGOLDJPZYTYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-24(2,3)16-26-21-9-8-20(27-22(21)29(4)28-33)17-12-18-14-30(15-19(18)13-17)23(31)25(32)10-6-5-7-11-25/h8-9,12,18-19,26,32H,5-7,10-11,13-16H2,1-4H3.
What are the key properties of N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide?
N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide has a molecular weight of 455.60 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropylamino)-6-[2-(1-hydroxycyclohexanecarbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-pyridinyl]-N-methylnitrous amide is sourced from PubChem (CID 135233340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).