N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide

C16H26N4O — CID 118422434

IUPACN-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCC1CCNCCN1C1C=CC=C(C(=O)NCC2CC2)N1
InChIInChI=1S/C16H26N4O/c1-12-7-8-17-9-10-20(12)15-4-2-3-14(19-15)16(21)18-11-13-5-6-13/h2-4,12-13,15,17,19H,5-11H2,1H3,(H,18,21)
InChIKeyAOYZMHOALXJITK-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.57
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422434) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID118422434
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCC1CCNCCN1C1C=CC=C(C(=O)NCC2CC2)N1
InChIInChI=1S/C16H26N4O/c1-12-7-8-17-9-10-20(12)15-4-2-3-14(19-15)16(21)18-11-13-5-6-13/h2-4,12-13,15,17,19H,5-11H2,1H3,(H,18,21)
InChIKeyAOYZMHOALXJITK-UHFFFAOYSA-N
XLogP0.57
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide (CID 118422434) is N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide is CC1CCNCCN1C1C=CC=C(C(=O)NCC2CC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is AOYZMHOALXJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-7-8-17-9-10-20(12)15-4-2-3-14(19-15)16(21)18-11-13-5-6-13/h2-4,12-13,15,17,19H,5-11H2,1H3,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(7-methyl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).