N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide

C20H28ClN5O — CID 127333472

IUPACN-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide
SMILESCCN1CCN(C2CCN(C(C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1
InChIInChI=1S/C20H28ClN5O/c1-3-24-8-10-25(11-9-24)18-6-7-26(14-18)15(2)20(27)23-17-5-4-16(13-22)19(21)12-17/h4-5,12,15,18H,3,6-11,14H2,1-2H3,(H,23,27)
InChIKeyJWBKLVXYHSFXAZ-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.25
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide

N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide (PubChem CID 127333472) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide
PubChem CID127333472
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide
SMILESCCN1CCN(C2CCN(C(C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1
InChIInChI=1S/C20H28ClN5O/c1-3-24-8-10-25(11-9-24)18-6-7-26(14-18)15(2)20(27)23-17-5-4-16(13-22)19(21)12-17/h4-5,12,15,18H,3,6-11,14H2,1-2H3,(H,23,27)
InChIKeyJWBKLVXYHSFXAZ-UHFFFAOYSA-N
XLogP2.25
TPSA62.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114068
(2S)-N-(3-chloro-4-cyanophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30956056
ethyl (3R)-1-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 9444799
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
ethyl 4-[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431235
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
N-(3-chloro-4-cyanophenyl)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
CID 155350792
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
2-chloro-4-[[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]benzonitrile
CID 99857766
N'-(3-chloro-4-cyanophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)oxamide
CID 56803530

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide (CID 127333472) is N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide is CCN1CCN(C2CCN(C(C)C(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is JWBKLVXYHSFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-3-24-8-10-25(11-9-24)18-6-7-26(14-18)15(2)20(27)23-17-5-4-16(13-22)19(21)12-17/h4-5,12,15,18H,3,6-11,14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide?
N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 389.93 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 127333472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).