4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide

C16H24N4O — CID 60847644

IUPAC4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccnc2N2CCCC2)CC1
InChIInChI=1S/C16H24N4O/c17-13-7-5-12(6-8-13)16(21)19-14-4-3-9-18-15(14)20-10-1-2-11-20/h3-4,9,12-13H,1-2,5-8,10-11,17H2,(H,19,21)
InChIKeyWZGCNFAFTLTXTL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide

4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 60847644) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID60847644
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccnc2N2CCCC2)CC1
InChIInChI=1S/C16H24N4O/c17-13-7-5-12(6-8-13)16(21)19-14-4-3-9-18-15(14)20-10-1-2-11-20/h3-4,9,12-13H,1-2,5-8,10-11,17H2,(H,19,21)
InChIKeyWZGCNFAFTLTXTL-UHFFFAOYSA-N
XLogP2.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 50783439
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide (CID 60847644) is 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2cccnc2N2CCCC2)CC1.
What is the InChIKey of 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is WZGCNFAFTLTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-13-7-5-12(6-8-13)16(21)19-14-4-3-9-18-15(14)20-10-1-2-11-20/h3-4,9,12-13H,1-2,5-8,10-11,17H2,(H,19,21).
What are the key properties of 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide?
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).