N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide

C18H21N5O2 — CID 155168076

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide
SMILESC=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cn1
InChIInChI=1S/C18H21N5O2/c1-3-17(24)20-10-14-7-6-13(9-19-14)11(2)18(25)21-16-8-15(22-23-16)12-4-5-12/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,20,24)(H2,21,22,23,25)
InChIKeySZUGQDLEWFRQOR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.23
Rot. Bonds7

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide (PubChem CID 155168076) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide
PubChem CID155168076
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide
SMILESC=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cn1
InChIInChI=1S/C18H21N5O2/c1-3-17(24)20-10-14-7-6-13(9-19-14)11(2)18(25)21-16-8-15(22-23-16)12-4-5-12/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,20,24)(H2,21,22,23,25)
InChIKeySZUGQDLEWFRQOR-UHFFFAOYSA-N
XLogP2.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.23
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-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide (CID 155168076) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide is C=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide?
The InChIKey is SZUGQDLEWFRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-17(24)20-10-14-7-6-13(9-19-14)11(2)18(25)21-16-8-15(22-23-16)12-4-5-12/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.23, 7 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-[6-[(prop-2-enoylamino)methyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 155168076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).