N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

C24H41N5O — CID 118422419

IUPACN-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)NCC2CC2)NC(N2CCCN(C3CCN(C(C)C)CC3)CC2)C=C1
InChIInChI=1S/C24H41N5O/c1-18(2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)22-8-5-19(3)23(26-22)24(30)25-17-20-6-7-20/h5,8,18,20-22,26H,4,6-7,9-17H2,1-3H3,(H,25,30)
InChIKeyLGWGHVZUWAHABO-UHFFFAOYSA-N
MW415.63 g/mol
LogP2.15
Rot. Bonds6

About N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide

N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422419) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422419
Molecular FormulaC24H41N5O
Molecular Weight415.63 g/mol
Exact Mass415.33
IUPAC NameN-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC1=C(C(=O)NCC2CC2)NC(N2CCCN(C3CCN(C(C)C)CC3)CC2)C=C1
InChIInChI=1S/C24H41N5O/c1-18(2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)22-8-5-19(3)23(26-22)24(30)25-17-20-6-7-20/h5,8,18,20-22,26H,4,6-7,9-17H2,1-3H3,(H,25,30)
InChIKeyLGWGHVZUWAHABO-UHFFFAOYSA-N
XLogP2.15
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-[4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422391
N-(cyclopropylmethyl)-2-[4-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422506
N-(cyclopropylmethyl)-2-[4-[1-(2-fluorocyclopentyl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422514
N-[3-(1,2-dihydroimidazol-3-yl)propyl]-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422373
N-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422385
2-[4-(1-aminopiperidin-4-yl)-1,4-diazepan-1-yl]-N-(1,2-dihydropyridin-5-ylmethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422417
2-[4-(1-aminopiperidin-4-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422442
N-(cyclopropylmethyl)-2-[4-(1-ethylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2,3,4-tetrahydropyridine-6-carboxamide
CID 118422448
N-butyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422456
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-5-methyl-1,2-dihydropyridine-6-carboxamide
CID 118422462
N-methyl-N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422467
N-(cyclopropylmethyl)-2-[4-(1-pentan-3-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422479

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422419) is N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is CC1=C(C(=O)NCC2CC2)NC(N2CCCN(C3CCN(C(C)C)CC3)CC2)C=C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is LGWGHVZUWAHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-18(2)27-13-9-21(10-14-27)28-11-4-12-29(16-15-28)22-8-5-19(3)23(26-22)24(30)25-17-20-6-7-20/h5,8,18,20-22,26H,4,6-7,9-17H2,1-3H3,(H,25,30).
What are the key properties of N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 415.63 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methyl-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).