5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide

C10H15N3O — CID 115906161

IUPAC5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
SMILESCC(C)NCc1ccc(C(N)=O)nc1
InChIInChI=1S/C10H15N3O/c1-7(2)12-5-8-3-4-9(10(11)14)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H2,11,14)
InChIKeyQEAQNDNUGSDFBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.68
Rot. Bonds4

About 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide

5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide (PubChem CID 115906161) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
PubChem CID115906161
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
SMILESCC(C)NCc1ccc(C(N)=O)nc1
InChIInChI=1S/C10H15N3O/c1-7(2)12-5-8-3-4-9(10(11)14)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H2,11,14)
InChIKeyQEAQNDNUGSDFBF-UHFFFAOYSA-N
XLogP0.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 150999370
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
5-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
CID 171489994
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
5-[1-(butylamino)ethyl]pyridine-2-carboxamide
CID 69323463
5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide
CID 119152311
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide (CID 115906161) is 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide is CC(C)NCc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide?
The InChIKey is QEAQNDNUGSDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)12-5-8-3-4-9(10(11)14)13-6-8/h3-4,6-7,12H,5H2,1-2H3,(H2,11,14).
What are the key properties of 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide?
5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115906161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).