N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

C23H37N5O — CID 118422480

IUPACN-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CC4)CC3)CC2)N1
InChIInChI=1S/C23H37N5O/c29-23(24-17-18-5-6-18)21-3-1-4-22(25-21)28-12-2-11-26(15-16-28)20-9-13-27(14-10-20)19-7-8-19/h1,3-4,18-20,22,25H,2,5-17H2,(H,24,29)
InChIKeyYQDYEOVWAADWGM-UHFFFAOYSA-N
MW399.58 g/mol
LogP1.52
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422480) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422480
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC NameN-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CC4)CC3)CC2)N1
InChIInChI=1S/C23H37N5O/c29-23(24-17-18-5-6-18)21-3-1-4-22(25-21)28-12-2-11-26(15-16-28)20-9-13-27(14-10-20)19-7-8-19/h1,3-4,18-20,22,25H,2,5-17H2,(H,24,29)
InChIKeyYQDYEOVWAADWGM-UHFFFAOYSA-N
XLogP1.52
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422480) is N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is O=C(NCC1CC1)C1=CC=CC(N2CCCN(C3CCN(C4CC4)CC3)CC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is YQDYEOVWAADWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c29-23(24-17-18-5-6-18)21-3-1-4-22(25-21)28-12-2-11-26(15-16-28)20-9-13-27(14-10-20)19-7-8-19/h1,3-4,18-20,22,25H,2,5-17H2,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).