(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide

C23H26N4O2 — CID 139558785

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
SMILESC=CC(=O)N1CCC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C1
InChIInChI=1S/C23H26N4O2/c1-3-22(28)27-12-4-5-19(14-27)17-8-6-16(7-9-17)15(2)23(29)24-21-13-20(25-26-21)18-10-11-18/h3,5-9,13,15,18H,1,4,10-12,14H2,2H3,(H2,24,25,26,29)/t15-/m0/s1
InChIKeyGOOZCRGJKQVEFX-HNNXBMFYSA-N
MW390.49 g/mol
LogP3.83
Rot. Bonds6

About (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide (PubChem CID 139558785) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
PubChem CID139558785
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
SMILESC=CC(=O)N1CCC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C1
InChIInChI=1S/C23H26N4O2/c1-3-22(28)27-12-4-5-19(14-27)17-8-6-16(7-9-17)15(2)23(29)24-21-13-20(25-26-21)18-10-11-18/h3,5-9,13,15,18H,1,4,10-12,14H2,2H3,(H2,24,25,26,29)/t15-/m0/s1
InChIKeyGOOZCRGJKQVEFX-HNNXBMFYSA-N
XLogP3.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
CID 139558774
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
CID 139558759
2-[4-[1-(4-bromobut-2-enoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 139558771
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
CID 155168084
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
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CID 5330950
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330964
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide
CID 134562615
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]acetamide
CID 139572066
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide (CID 139558785) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide is C=CC(=O)N1CCC=C(c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide?
The InChIKey is GOOZCRGJKQVEFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-22(28)27-12-4-5-19(14-27)17-8-6-16(7-9-17)15(2)23(29)24-21-13-20(25-26-21)18-10-11-18/h3,5-9,13,15,18H,1,4,10-12,14H2,2H3,(H2,24,25,26,29)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide?
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide is sourced from PubChem (CID 139558785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).