3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide

C25H29N5O4 — CID 18338667

IUPAC3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide
SMILESNC(=O)CCC1C(=O)Nc2ccccc2C(=O)N1C(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C25H29N5O4/c26-21(31)14-13-20-23(32)29-18-11-5-4-10-17(18)25(34)30(20)22(19-12-6-7-15-27-19)24(33)28-16-8-2-1-3-9-16/h4-7,10-12,15-16,20,22H,1-3,8-9,13-14H2,(H2,26,31)(H,28,33)(H,29,32)
InChIKeyRENBZVAYACCEOW-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.30
Rot. Bonds7

About 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide

3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide (PubChem CID 18338667) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide
PubChem CID18338667
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide
SMILESNC(=O)CCC1C(=O)Nc2ccccc2C(=O)N1C(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C25H29N5O4/c26-21(31)14-13-20-23(32)29-18-11-5-4-10-17(18)25(34)30(20)22(19-12-6-7-15-27-19)24(33)28-16-8-2-1-3-9-16/h4-7,10-12,15-16,20,22H,1-3,8-9,13-14H2,(H2,26,31)(H,28,33)(H,29,32)
InChIKeyRENBZVAYACCEOW-UHFFFAOYSA-N
XLogP2.30
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide with MolForge

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Related Compounds

2-(3-benzyl-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-cyclohexyl-4-methylpentanamide
CID 18338652
N-cyclohexyl-2-pyridin-2-ylbutanamide
CID 21278990
N-cyclopropyl-2,5-dioxo-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
CID 53384173
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
CID 11225540
2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide
CID 71248152
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
3-[(3S)-7-acetamido-4-[2-(carboxymethylamino)-1-cyclohexyl-2-oxoethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid
CID 45488284
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645544
N-cyclohexyl-2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2890791

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide?
The IUPAC name of 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide (CID 18338667) is 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide.
What is the SMILES notation for 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide?
The canonical SMILES for 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide is NC(=O)CCC1C(=O)Nc2ccccc2C(=O)N1C(C(=O)NC1CCCCC1)c1ccccn1.
What is the InChIKey of 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide?
The InChIKey is RENBZVAYACCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c26-21(31)14-13-20-23(32)29-18-11-5-4-10-17(18)25(34)30(20)22(19-12-6-7-15-27-19)24(33)28-16-8-2-1-3-9-16/h4-7,10-12,15-16,20,22H,1-3,8-9,13-14H2,(H2,26,31)(H,28,33)(H,29,32).
What are the key properties of 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide?
3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide has a molecular weight of 463.54 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide is sourced from PubChem (CID 18338667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).