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

C19H33N5O — CID 118422384

IUPAC2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC(C)N1CCC(N2CCCN(C3C=CC=C(C(N)=O)N3)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-15(2)22-11-7-16(8-12-22)23-9-4-10-24(14-13-23)18-6-3-5-17(21-18)19(20)25/h3,5-6,15-16,18,21H,4,7-14H2,1-2H3,(H2,20,25)
InChIKeyWKMUDDPVOMWHMN-UHFFFAOYSA-N
MW347.51 g/mol
LogP0.72
Rot. Bonds4

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

2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (PubChem CID 118422384) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
PubChem CID118422384
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
SMILESCC(C)N1CCC(N2CCCN(C3C=CC=C(C(N)=O)N3)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-15(2)22-11-7-16(8-12-22)23-9-4-10-24(14-13-23)18-6-3-5-17(21-18)19(20)25/h3,5-6,15-16,18,21H,4,7-14H2,1-2H3,(H2,20,25)
InChIKeyWKMUDDPVOMWHMN-UHFFFAOYSA-N
XLogP0.72
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422378
2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-6-carboxamide
CID 118422381
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-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56794642
1-(1-Cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 71863025
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-(cyclopropylmethyl)-2-[4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422380
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
N-(3-hydroxypropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422386
N-(2,3-dihydro-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide
CID 118422396

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide (CID 118422384) is 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is CC(C)N1CCC(N2CCCN(C3C=CC=C(C(N)=O)N3)CC2)CC1.
What is the InChIKey of 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
The InChIKey is WKMUDDPVOMWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15(2)22-11-7-16(8-12-22)23-9-4-10-24(14-13-23)18-6-3-5-17(21-18)19(20)25/h3,5-6,15-16,18,21H,4,7-14H2,1-2H3,(H2,20,25).
What are the key properties of 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide?
2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 118422384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).