6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide

C14H17N5O2 — CID 116787996

IUPAC6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C14H17N5O2/c1-3-6-15-11-7-9(2)16-8-10(11)14(21)17-12-4-5-13(20)19-18-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyVUOFUCRVZBYPBP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.55
Rot. Bonds5

About 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide

6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 116787996) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID116787996
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C14H17N5O2/c1-3-6-15-11-7-9(2)16-8-10(11)14(21)17-12-4-5-13(20)19-18-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,19,20)(H,17,18,21)
InChIKeyVUOFUCRVZBYPBP-UHFFFAOYSA-N
XLogP1.55
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
6-methyl-4-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 81233882
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
6-methyl-N-(4-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235489
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81233813
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
N-[1-(ethylamino)-1-oxopropan-2-yl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238499
3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105387666

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide (CID 116787996) is 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is VUOFUCRVZBYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-6-15-11-7-9(2)16-8-10(11)14(21)17-12-4-5-13(20)19-18-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,19,20)(H,17,18,21).
What are the key properties of 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide?
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 116787996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).