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

C26H33N5O2 — CID 134562615

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(C2=CCN(C(=O)C=CCN(C)C)CC2)c1
InChIInChI=1S/C26H33N5O2/c1-18(26(33)27-24-17-23(28-29-24)20-9-10-20)21-6-4-7-22(16-21)19-11-14-31(15-12-19)25(32)8-5-13-30(2)3/h4-8,11,16-18,20H,9-10,12-15H2,1-3H3,(H2,27,28,29,33)
InChIKeyIYGKACUPABBHDX-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.76
Rot. Bonds8

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide (PubChem CID 134562615) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide
PubChem CID134562615
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(C2=CCN(C(=O)C=CCN(C)C)CC2)c1
InChIInChI=1S/C26H33N5O2/c1-18(26(33)27-24-17-23(28-29-24)20-9-10-20)21-6-4-7-22(16-21)19-11-14-31(15-12-19)25(32)8-5-13-30(2)3/h4-8,11,16-18,20H,9-10,12-15H2,1-3H3,(H2,27,28,29,33)
InChIKeyIYGKACUPABBHDX-UHFFFAOYSA-N
XLogP3.76
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
CID 139558759
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832
(E)-N-[4-[3-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl]phenyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 134562652
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide
CID 161117287
(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
(E)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]-4-[(2R)-2-methylpyrrolidin-1-yl]but-2-enamide
CID 145196955
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
(E)-4-[(2S)-2-cyanopyrrolidin-1-yl]-N-[5-[3-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 134562613
(E)-4-(2-cyanopyrrolidin-1-yl)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 170336488
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methyl-2-[3-[6-[[(3E)-5-pyrrolidin-1-ylpenta-1,3-dien-2-yl]amino]-3-pyridinyl]phenyl]butanamide
CID 170336448

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide?
The IUPAC name of 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) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1cccc(C2=CCN(C(=O)C=CCN(C)C)CC2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide?
The InChIKey is IYGKACUPABBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18(26(33)27-24-17-23(28-29-24)20-9-10-20)21-6-4-7-22(16-21)19-11-14-31(15-12-19)25(32)8-5-13-30(2)3/h4-8,11,16-18,20H,9-10,12-15H2,1-3H3,(H2,27,28,29,33).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[1-[4-(dimethylamino)but-2-enoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanamide is sourced from PubChem (CID 134562615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).