4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide

C19H28N6O2 — CID 167860273

IUPAC4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1)NC1CC1
InChIInChI=1S/C19H28N6O2/c26-18(21-15-3-4-15)14-23-9-11-25(12-10-23)19(27)22-16-5-6-17(20-13-16)24-7-1-2-8-24/h5-6,13,15H,1-4,7-12,14H2,(H,21,26)(H,22,27)
InChIKeyQUXPAGXHZUFRHM-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.11
Rot. Bonds5

About 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide

4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 167860273) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID167860273
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1)NC1CC1
InChIInChI=1S/C19H28N6O2/c26-18(21-15-3-4-15)14-23-9-11-25(12-10-23)19(27)22-16-5-6-17(20-13-16)24-7-1-2-8-24/h5-6,13,15H,1-4,7-12,14H2,(H,21,26)(H,22,27)
InChIKeyQUXPAGXHZUFRHM-UHFFFAOYSA-N
XLogP1.11
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
tert-butyl 4-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 47040321
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
4-[(3-chlorophenyl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 55740139
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136544531
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide (CID 167860273) is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1)NC1CC1.
What is the InChIKey of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is QUXPAGXHZUFRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c26-18(21-15-3-4-15)14-23-9-11-25(12-10-23)19(27)22-16-5-6-17(20-13-16)24-7-1-2-8-24/h5-6,13,15H,1-4,7-12,14H2,(H,21,26)(H,22,27).
What are the key properties of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 167860273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).