4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide

C17H24N4O2 — CID 99596800

IUPAC4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1
InChIInChI=1S/C17H24N4O2/c1-13(14-5-7-18-8-6-14)19-17(23)21-10-2-9-20(11-12-21)16(22)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyCLFZTNGFUUGAAC-ZDUSSCGKSA-N
MW316.40 g/mol
LogP1.80
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide (PubChem CID 99596800) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
PubChem CID99596800
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1
InChIInChI=1S/C17H24N4O2/c1-13(14-5-7-18-8-6-14)19-17(23)21-10-2-9-20(11-12-21)16(22)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyCLFZTNGFUUGAAC-ZDUSSCGKSA-N
XLogP1.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
4-(cyclopropanecarbonyl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 99626790
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide
CID 87000226
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide (CID 99596800) is 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide is C[C@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccncc1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is CLFZTNGFUUGAAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(14-5-7-18-8-6-14)19-17(23)21-10-2-9-20(11-12-21)16(22)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 99596800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).