2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

C17H22N6O — CID 154799825

IUPAC2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCC(c1cnccn1)N1CCCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O/c1-13(15-12-19-6-7-20-15)22-8-3-9-23(11-10-22)17-14(16(18)24)4-2-5-21-17/h2,4-7,12-13H,3,8-11H2,1H3,(H2,18,24)
InChIKeyXVESXTCOASPVRY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 154799825) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID154799825
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESCC(c1cnccn1)N1CCCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O/c1-13(15-12-19-6-7-20-15)22-8-3-9-23(11-10-22)17-14(16(18)24)4-2-5-21-17/h2,4-7,12-13H,3,8-11H2,1H3,(H2,18,24)
InChIKeyXVESXTCOASPVRY-UHFFFAOYSA-N
XLogP1.24
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Nevirapine
CID 4463
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
AQ-RA 741
CID 129989
Unii-O3pen5V8WL
CID 453331
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
2-Hydroxy nevirapine
CID 10850461
AF-DX-384
CID 119357
Propizepine
CID 112029
8-Heteroarylthiomethyldipyridodiazepinone deriv. 17
CID 515052

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 154799825) is 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is CC(c1cnccn1)N1CCCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is XVESXTCOASPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-13(15-12-19-6-7-20-15)22-8-3-9-23(11-10-22)17-14(16(18)24)4-2-5-21-17/h2,4-7,12-13H,3,8-11H2,1H3,(H2,18,24).
What are the key properties of 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).