5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide

C13H15N5O — CID 114090671

IUPAC5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
SMILESCc1cnccc1CNc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H15N5O/c1-8-5-16-3-2-9(8)6-17-12-4-10(13(15)19)11(14)7-18-12/h2-5,7H,6,14H2,1H3,(H2,15,19)(H,17,18)
InChIKeySFMUJZOVXALXJJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.08
Rot. Bonds4

About 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide

5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide (PubChem CID 114090671) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
PubChem CID114090671
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
SMILESCc1cnccc1CNc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H15N5O/c1-8-5-16-3-2-9(8)6-17-12-4-10(13(15)19)11(14)7-18-12/h2-5,7H,6,14H2,1H3,(H2,15,19)(H,17,18)
InChIKeySFMUJZOVXALXJJ-UHFFFAOYSA-N
XLogP1.08
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
5-amino-2-[(2,4-dimethyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 112741975
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
CID 114167701
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
6-[(3-methyl-4-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 114700514
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide (CID 114090671) is 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide is Cc1cnccc1CNc1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide?
The InChIKey is SFMUJZOVXALXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-5-16-3-2-9(8)6-17-12-4-10(13(15)19)11(14)7-18-12/h2-5,7H,6,14H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide?
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 114090671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).