5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide

C14H21N3O2 — CID 115357766

IUPAC5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H21N3O2/c1-10-12(6-11(15)7-16-10)13(19)17-8-14(9-18)4-2-3-5-14/h6-7,18H,2-5,8-9,15H2,1H3,(H,17,19)
InChIKeyBWHVGCBGUKIBKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds4

About 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide

5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide (PubChem CID 115357766) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
PubChem CID115357766
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C14H21N3O2/c1-10-12(6-11(15)7-16-10)13(19)17-8-14(9-18)4-2-3-5-14/h6-7,18H,2-5,8-9,15H2,1H3,(H,17,19)
InChIKeyBWHVGCBGUKIBKY-UHFFFAOYSA-N
XLogP1.25
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[(1-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 55259473
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide (CID 115357766) is 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide?
The InChIKey is BWHVGCBGUKIBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-12(6-11(15)7-16-10)13(19)17-8-14(9-18)4-2-3-5-14/h6-7,18H,2-5,8-9,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide?
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 115357766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).