N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C22H33N5O — CID 144575615

IUPACN-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2c(nc1N1CCC(NC3CCCCC3)CC1)CCC2
InChIInChI=1S/C22H33N5O/c1-15(23)24-22(28)19-14-16-6-5-9-20(16)26-21(19)27-12-10-18(11-13-27)25-17-7-3-2-4-8-17/h14,17-18,25H,2-13H2,1H3,(H2,23,24,28)
InChIKeyYCEGTSCODARBTM-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.98
Rot. Bonds4

About N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 144575615) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID144575615
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2c(nc1N1CCC(NC3CCCCC3)CC1)CCC2
InChIInChI=1S/C22H33N5O/c1-15(23)24-22(28)19-14-16-6-5-9-20(16)26-21(19)27-12-10-18(11-13-27)25-17-7-3-2-4-8-17/h14,17-18,25H,2-13H2,1H3,(H2,23,24,28)
InChIKeyYCEGTSCODARBTM-UHFFFAOYSA-N
XLogP2.98
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123842941
N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 139324686
N-(1-amino-2-methylpropylidene)-5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 118263663
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916930
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
CID 123491507
2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703356
2-(cyclohexylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55107973
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 62201293

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 144575615) is N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is C/C(N)=N\C(=O)c1cc2c(nc1N1CCC(NC3CCCCC3)CC1)CCC2.
What is the InChIKey of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is YCEGTSCODARBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-15(23)24-22(28)19-14-16-6-5-9-20(16)26-21(19)27-12-10-18(11-13-27)25-17-7-3-2-4-8-17/h14,17-18,25H,2-13H2,1H3,(H2,23,24,28).
What are the key properties of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 144575615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).