N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide

C23H27N5O2 — CID 139558774

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(CC)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1
InChIInChI=1S/C23H27N5O2/c1-3-18(23(30)25-21-12-20(26-27-21)15-7-8-15)16-9-10-19(24-13-16)17-6-5-11-28(14-17)22(29)4-2/h4,6,9-10,12-13,15,18H,2-3,5,7-8,11,14H2,1H3,(H2,25,26,27,30)
InChIKeyXDFVYFGUZKKLGL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.62
Rot. Bonds7

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide (PubChem CID 139558774) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
PubChem CID139558774
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(CC)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1
InChIInChI=1S/C23H27N5O2/c1-3-18(23(30)25-21-12-20(26-27-21)15-7-8-15)16-9-10-19(24-13-16)17-6-5-11-28(14-17)22(29)4-2/h4,6,9-10,12-13,15,18H,2-3,5,7-8,11,14H2,1H3,(H2,25,26,27,30)
InChIKeyXDFVYFGUZKKLGL-UHFFFAOYSA-N
XLogP3.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.62
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

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CID 139558785
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]propanamide
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(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
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2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
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N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]pentanamide
CID 22176843
2-[(6E,8Z)-7-chloro-4,5-dihydro-3aH-cycloocta[b]pyrrol-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
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N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-5-yl)pyrazol-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide?
The IUPAC name of 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) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide is C=CC(=O)N1CCC=C(c2ccc(C(CC)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide?
The InChIKey is XDFVYFGUZKKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-18(23(30)25-21-12-20(26-27-21)15-7-8-15)16-9-10-19(24-13-16)17-6-5-11-28(14-17)22(29)4-2/h4,6,9-10,12-13,15,18H,2-3,5,7-8,11,14H2,1H3,(H2,25,26,27,30).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide has a molecular weight of 405.50 g/mol, XLogP of 3.62, 7 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-[6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 139558774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).