N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide

C20H31N5O — CID 123842941

IUPACN-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cnc(N2CCC(NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H31N5O/c1-14-12-16(20(26)23-15(2)21)13-22-19(14)25-10-8-18(9-11-25)24-17-6-4-3-5-7-17/h12-13,17-18,24H,3-11H2,1-2H3,(H2,21,23,26)
InChIKeyOYCCCRDECOFRMC-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.80
Rot. Bonds4

About N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide

N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide (PubChem CID 123842941) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
PubChem CID123842941
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cnc(N2CCC(NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H31N5O/c1-14-12-16(20(26)23-15(2)21)13-22-19(14)25-10-8-18(9-11-25)24-17-6-4-3-5-7-17/h12-13,17-18,24H,3-11H2,1-2H3,(H2,21,23,26)
InChIKeyOYCCCRDECOFRMC-UHFFFAOYSA-N
XLogP2.80
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.80
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)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 144575615
N-(1-amino-2-methylpropylidene)-5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 118263663
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
CID 123519804
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
CID 148579322
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
propyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 129253306
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide (CID 123842941) is N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide is C/C(N)=N\C(=O)c1cnc(N2CCC(NC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is OYCCCRDECOFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-14-12-16(20(26)23-15(2)21)13-22-19(14)25-10-8-18(9-11-25)24-17-6-4-3-5-7-17/h12-13,17-18,24H,3-11H2,1-2H3,(H2,21,23,26).
What are the key properties of N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide?
N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 123842941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).