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

C23H39N5O2 — CID 118422414

IUPACN-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC(C)N1CCC(N2CCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC(O)C2)CC1
InChIInChI=1S/C23H39N5O2/c1-17(2)26-10-8-19(9-11-26)27-12-13-28(16-20(29)15-27)22-5-3-4-21(25-22)23(30)24-14-18-6-7-18/h3-5,17-20,22,25,29H,6-16H2,1-2H3,(H,24,30)
InChIKeyWPRPCFJALQJDII-UHFFFAOYSA-N
MW417.60 g/mol
LogP0.73
Rot. Bonds6

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

N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422414) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422414
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC NameN-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC(C)N1CCC(N2CCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC(O)C2)CC1
InChIInChI=1S/C23H39N5O2/c1-17(2)26-10-8-19(9-11-26)27-12-13-28(16-20(29)15-27)22-5-3-4-21(25-22)23(30)24-14-18-6-7-18/h3-5,17-20,22,25,29H,6-16H2,1-2H3,(H,24,30)
InChIKeyWPRPCFJALQJDII-UHFFFAOYSA-N
XLogP0.73
TPSA71.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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)-3-hydroxy-2-(4-piperidin-4-yl-1,4-diazepan-1-yl)-1,2-dihydropyridine-6-carboxamide
CID 118422376
N-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422380
N-(3-hydroxypropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422386
N-(cyclopropylmethyl)-2-[4-[1-(oxolan-3-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422402
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
N-(cyclopropylmethyl)-2-[4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422480
N-(cyclopropylmethyl)-2-[4-(1-propylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422482
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422503
N-(cyclopropylmethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422510

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422414) is N-(cyclopropylmethyl)-2-[6-hydroxy-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)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is CC(C)N1CCC(N2CCN(C3C=CC=C(C(=O)NCC4CC4)N3)CC(O)C2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is WPRPCFJALQJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-17(2)26-10-8-19(9-11-26)27-12-13-28(16-20(29)15-27)22-5-3-4-21(25-22)23(30)24-14-18-6-7-18/h3-5,17-20,22,25,29H,6-16H2,1-2H3,(H,24,30).
What are the key properties of N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 417.60 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[6-hydroxy-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).