N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide

C24H25N5O2 — CID 162670275

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)nc1
InChIInChI=1S/C24H25N5O2/c1-3-23(30)26-14-16-4-11-20(25-13-16)18-7-5-17(6-8-18)15(2)24(31)27-22-12-21(28-29-22)19-9-10-19/h3-8,11-13,15,19H,1,9-10,14H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyMBMXKMKKFAVPBD-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.89
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide (PubChem CID 162670275) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide
PubChem CID162670275
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)nc1
InChIInChI=1S/C24H25N5O2/c1-3-23(30)26-14-16-4-11-20(25-13-16)18-7-5-17(6-8-18)15(2)24(31)27-22-12-21(28-29-22)19-9-10-19/h3-8,11-13,15,19H,1,9-10,14H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyMBMXKMKKFAVPBD-UHFFFAOYSA-N
XLogP3.89
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide (CID 162670275) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide is C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)nc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide?
The InChIKey is MBMXKMKKFAVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-23(30)26-14-16-4-11-20(25-13-16)18-7-5-17(6-8-18)15(2)24(31)27-22-12-21(28-29-22)19-9-10-19/h3-8,11-13,15,19H,1,9-10,14H2,2H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 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-[4-[5-[(prop-2-enoylamino)methyl]-2-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 162670275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).