N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H21N5O2 — CID 154833370

IUPACN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H21N5O2/c23-16-6-5-14(20-21-16)17(24)19-12-13-7-8-18-15(11-13)22-9-3-1-2-4-10-22/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,21,23)
InChIKeyMDUFPKJYKGDMRK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.48
Rot. Bonds4

About N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 154833370) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID154833370
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H21N5O2/c23-16-6-5-14(20-21-16)17(24)19-12-13-7-8-18-15(11-13)22-9-3-1-2-4-10-22/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,21,23)
InChIKeyMDUFPKJYKGDMRK-UHFFFAOYSA-N
XLogP1.48
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 31819263
2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020230
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 132970218
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641088
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 154833370) is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MDUFPKJYKGDMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16-6-5-14(20-21-16)17(24)19-12-13-7-8-18-15(11-13)22-9-3-1-2-4-10-22/h5-8,11H,1-4,9-10,12H2,(H,19,24)(H,21,23).
What are the key properties of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 154833370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).