N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide

C24H28N6O3 — CID 166203369

IUPACN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2)c1)NC1CC1
InChIInChI=1S/C24H28N6O3/c31-22(17-2-1-3-19(14-17)27-24(33)26-18-6-7-18)28-21-9-8-20(15-25-21)29-10-12-30(13-11-29)23(32)16-4-5-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,25,28,31)(H2,26,27,33)
InChIKeyYKOGMWQIZYHBKN-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.68
Rot. Bonds6

About N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide (PubChem CID 166203369) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
PubChem CID166203369
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2)c1)NC1CC1
InChIInChI=1S/C24H28N6O3/c31-22(17-2-1-3-19(14-17)27-24(33)26-18-6-7-18)28-21-9-8-20(15-25-21)29-10-12-30(13-11-29)23(32)16-4-5-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,25,28,31)(H2,26,27,33)
InChIKeyYKOGMWQIZYHBKN-UHFFFAOYSA-N
XLogP2.68
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 112502797
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
CID 166231263
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 84583874
N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78899574
1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029407
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide (CID 166203369) is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)cn2)c1)NC1CC1.
What is the InChIKey of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is YKOGMWQIZYHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-22(17-2-1-3-19(14-17)27-24(33)26-18-6-7-18)28-21-9-8-20(15-25-21)29-10-12-30(13-11-29)23(32)16-4-5-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,25,28,31)(H2,26,27,33).
What are the key properties of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide?
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 448.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 166203369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).