5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C15H18N4O — CID 81316551

IUPAC5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-7-17-8-12)15(20)14-6-5-13(16)9-18-14/h3-9,11H,10,16H2,1-2H3
InChIKeyHUQGVNVWKLQRNN-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.11
Rot. Bonds4

About 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 81316551) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID81316551
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-7-17-8-12)15(20)14-6-5-13(16)9-18-14/h3-9,11H,10,16H2,1-2H3
InChIKeyHUQGVNVWKLQRNN-UHFFFAOYSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 65357815
1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47049882
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 81316551) is 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CC(C)N(Cc1cccnc1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HUQGVNVWKLQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-7-17-8-12)15(20)14-6-5-13(16)9-18-14/h3-9,11H,10,16H2,1-2H3.
What are the key properties of 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 81316551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).