4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide

C14H21N3O2 — CID 114953067

IUPAC4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)CC2(O)CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-10-7-12(15)11(8-16-10)13(18)17(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyXOISLIRSCNQNLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds3

About 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide

4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 114953067) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID114953067
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(C)CC2(O)CCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-10-7-12(15)11(8-16-10)13(18)17(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyXOISLIRSCNQNLW-UHFFFAOYSA-N
XLogP1.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
4-amino-N,6-dimethyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 81240095
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
4-amino-N,N-diethyl-6-methylpyridine-3-carboxamide
CID 81236376
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide (CID 114953067) is 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)N(C)CC2(O)CCCC2)cn1.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is XOISLIRSCNQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-12(15)11(8-16-10)13(18)17(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H2,15,16).
What are the key properties of 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide?
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114953067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).