6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide

C14H15N5O3 — CID 108926634

IUPAC6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc(=O)[nH]n1)c1cccnc1
InChIInChI=1S/C14H15N5O3/c20-12-5-4-11(18-19-12)14(22)17-8-2-7-16-13(21)10-3-1-6-15-9-10/h1,3-6,9H,2,7-8H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyVFBHMFUMZDLJAS-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.29
Rot. Bonds6

About 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide (PubChem CID 108926634) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
PubChem CID108926634
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc(=O)[nH]n1)c1cccnc1
InChIInChI=1S/C14H15N5O3/c20-12-5-4-11(18-19-12)14(22)17-8-2-7-16-13(21)10-3-1-6-15-9-10/h1,3-6,9H,2,7-8H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyVFBHMFUMZDLJAS-UHFFFAOYSA-N
XLogP-0.29
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
CID 18977165
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 2122433
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide (CID 108926634) is 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide is O=C(NCCCNC(=O)c1ccc(=O)[nH]n1)c1cccnc1.
What is the InChIKey of 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide?
The InChIKey is VFBHMFUMZDLJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-12-5-4-11(18-19-12)14(22)17-8-2-7-16-13(21)10-3-1-6-15-9-10/h1,3-6,9H,2,7-8H2,(H,16,21)(H,17,22)(H,19,20).
What are the key properties of 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108926634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).