N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide

C13H20N4O2 — CID 81243302

IUPACN-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCCC(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-5-15-11-7-9(2)17-8-10(11)13(19)16-6-4-12(14)18/h7-8H,3-6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFJSRVGATKHRXCS-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.82
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide

N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81243302) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81243302
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCCC(N)=O
InChIInChI=1S/C13H20N4O2/c1-3-5-15-11-7-9(2)17-8-10(11)13(19)16-6-4-12(14)18/h7-8H,3-6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyFJSRVGATKHRXCS-UHFFFAOYSA-N
XLogP0.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256346
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81233813
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238764

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide (CID 81243302) is N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is FJSRVGATKHRXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-5-15-11-7-9(2)17-8-10(11)13(19)16-6-4-12(14)18/h7-8H,3-6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide?
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81243302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).