N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide

C20H21N5O2 — CID 139558769

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide
SMILESC=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1
InChIInChI=1S/C20H21N5O2/c1-2-20(27)25-8-7-15(12-25)16-6-3-13(11-21-16)9-19(26)22-18-10-17(23-24-18)14-4-5-14/h2-3,6-7,10-11,14H,1,4-5,8-9,12H2,(H2,22,23,24,26)
InChIKeyKEWSSFSLZFTZRZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.27
Rot. Bonds6

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide (PubChem CID 139558769) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide
PubChem CID139558769
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide
SMILESC=CC(=O)N1CC=C(c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1
InChIInChI=1S/C20H21N5O2/c1-2-20(27)25-8-7-15(12-25)16-6-3-13(11-21-16)9-19(26)22-18-10-17(23-24-18)14-4-5-14/h2-3,6-7,10-11,14H,1,4-5,8-9,12H2,(H2,22,23,24,26)
InChIKeyKEWSSFSLZFTZRZ-UHFFFAOYSA-N
XLogP2.27
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide (CID 139558769) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide is C=CC(=O)N1CC=C(c2ccc(CC(=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-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide?
The InChIKey is KEWSSFSLZFTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-20(27)25-8-7-15(12-25)16-6-3-13(11-21-16)9-19(26)22-18-10-17(23-24-18)14-4-5-14/h2-3,6-7,10-11,14H,1,4-5,8-9,12H2,(H2,22,23,24,26).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.27, 6 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-2,5-dihydropyrrol-3-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 139558769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).