5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide

C14H21N3O2 — CID 81316208

IUPAC5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCC2(O)CCCCCC2)nc1
InChIInChI=1S/C14H21N3O2/c15-11-5-6-12(16-9-11)13(18)17-10-14(19)7-3-1-2-4-8-14/h5-6,9,19H,1-4,7-8,10,15H2,(H,17,18)
InChIKeyIBONEELARXDKBG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds3

About 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide

5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide (PubChem CID 81316208) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
PubChem CID81316208
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCC2(O)CCCCCC2)nc1
InChIInChI=1S/C14H21N3O2/c15-11-5-6-12(16-9-11)13(18)17-10-14(19)7-3-1-2-4-8-14/h5-6,9,19H,1-4,7-8,10,15H2,(H,17,18)
InChIKeyIBONEELARXDKBG-UHFFFAOYSA-N
XLogP1.48
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79039270
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide (CID 81316208) is 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide is Nc1ccc(C(=O)NCC2(O)CCCCCC2)nc1.
What is the InChIKey of 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide?
The InChIKey is IBONEELARXDKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-5-6-12(16-9-11)13(18)17-10-14(19)7-3-1-2-4-8-14/h5-6,9,19H,1-4,7-8,10,15H2,(H,17,18).
What are the key properties of 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide?
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81316208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).