2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide

C12H15N5O — CID 113277766

IUPAC2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H15N5O/c1-8-10(7-16-17-8)6-15-12(18)9-2-3-14-11(4-9)5-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,16,17)
InChIKeyBQONPYZQAAECTB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.50
Rot. Bonds4

About 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 113277766) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID113277766
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H15N5O/c1-8-10(7-16-17-8)6-15-12(18)9-2-3-14-11(4-9)5-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,16,17)
InChIKeyBQONPYZQAAECTB-UHFFFAOYSA-N
XLogP0.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62178161
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
3-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 61004398

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide (CID 113277766) is 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BQONPYZQAAECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-10(7-16-17-8)6-15-12(18)9-2-3-14-11(4-9)5-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113277766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).