N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide

C22H26ClN5O — CID 175532128

IUPACN-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide
SMILESCC1(C)Cc2c(C#N)cc(-c3cc(NC(=O)C[C@@H]4CCCNC4)ncc3Cl)n2C1
InChIInChI=1S/C22H26ClN5O/c1-22(2)9-19-15(10-24)7-18(28(19)13-22)16-8-20(26-12-17(16)23)27-21(29)6-14-4-3-5-25-11-14/h7-8,12,14,25H,3-6,9,11,13H2,1-2H3,(H,26,27,29)/t14-/m0/s1
InChIKeyRANZZVPNJSONFH-AWEZNQCLSA-N
MW411.94 g/mol
LogP3.99
Rot. Bonds4

About N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide

N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide (PubChem CID 175532128) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide
PubChem CID175532128
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC NameN-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide
SMILESCC1(C)Cc2c(C#N)cc(-c3cc(NC(=O)C[C@@H]4CCCNC4)ncc3Cl)n2C1
InChIInChI=1S/C22H26ClN5O/c1-22(2)9-19-15(10-24)7-18(28(19)13-22)16-8-20(26-12-17(16)23)27-21(29)6-14-4-3-5-25-11-14/h7-8,12,14,25H,3-6,9,11,13H2,1-2H3,(H,26,27,29)/t14-/m0/s1
InChIKeyRANZZVPNJSONFH-AWEZNQCLSA-N
XLogP3.99
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] carbamate
CID 175150047
N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
CID 175532117
3-[2-[[(1S,3R)-3-acetamidocyclohexanecarbonyl]amino]-5-chloro-4-pyridinyl]-6,6-dimethyl-5,7-dihydropyrrolizine-1-carboxamide
CID 166848900
(2R)-2-[2-[[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-pyridinyl]amino]-2-oxoethyl]-N-methylpyrrolidine-1-carboxamide
CID 175532109
N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 79733319
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-piperidin-3-ylacetamide
CID 62674565
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide?
The IUPAC name of N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide (CID 175532128) is N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide is CC1(C)Cc2c(C#N)cc(-c3cc(NC(=O)C[C@@H]4CCCNC4)ncc3Cl)n2C1.
What is the InChIKey of N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide?
The InChIKey is RANZZVPNJSONFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-22(2)9-19-15(10-24)7-18(28(19)13-22)16-8-20(26-12-17(16)23)27-21(29)6-14-4-3-5-25-11-14/h7-8,12,14,25H,3-6,9,11,13H2,1-2H3,(H,26,27,29)/t14-/m0/s1.
What are the key properties of N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide?
N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide has a molecular weight of 411.94 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(1-cyano-6,6-dimethyl-5,7-dihydropyrrolizin-3-yl)-2-pyridinyl]-2-[(3S)-piperidin-3-yl]acetamide is sourced from PubChem (CID 175532128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).