2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide

C13H19N3O2 — CID 131918603

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NCC2(CO)CC2)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-5-10(11(14)18)12(16-9(8)2)15-6-13(7-17)3-4-13/h5,17H,3-4,6-7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyASZPLNDPNNWEMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 131918603) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
PubChem CID131918603
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NCC2(CO)CC2)nc1C
InChIInChI=1S/C13H19N3O2/c1-8-5-10(11(14)18)12(16-9(8)2)15-6-13(7-17)3-4-13/h5,17H,3-4,6-7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyASZPLNDPNNWEMW-UHFFFAOYSA-N
XLogP0.98
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-(3-cyclopropyl-3-hydroxy-prop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 25123661
N-(cyclopropylmethyl)-2-(2-methylpropylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520610
Nicotinamide, 2-anilino-N-ethyl-6-methyl-
CID 3061040
Nicotinamide, 2-anilino-N-butyl-6-methyl-
CID 3061043
2-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-5,6-dimethylnicotinamide
CID 72922837
7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97406128
2-(dimethylamino)-N,7-dimethyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520394
N-methyl-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520492
3-N-methyl-7-N-propan-2-yl-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3,7-dicarboxamide
CID 97520501
N,N-dimethyl-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520518
7-(2-methoxyethyl)-N,N-dimethyl-2-(propan-2-ylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520524
N-(cyclopropylmethyl)-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520538

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide (CID 131918603) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(NCC2(CO)CC2)nc1C.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is ASZPLNDPNNWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-10(11(14)18)12(16-9(8)2)15-6-13(7-17)3-4-13/h5,17H,3-4,6-7H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 131918603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).