N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide

C21H21N5O3 — CID 38430538

IUPACN-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccnc1-n1cccn1
InChIInChI=1S/C21H21N5O3/c27-19(23-13-16-4-2-9-22-20(16)26-11-3-10-24-26)14-29-18-6-1-5-17(12-18)25-21(28)15-7-8-15/h1-6,9-12,15H,7-8,13-14H2,(H,23,27)(H,25,28)
InChIKeyVLHJYIVPDZYSEZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.31
Rot. Bonds8

About N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 38430538) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID38430538
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccnc1-n1cccn1
InChIInChI=1S/C21H21N5O3/c27-19(23-13-16-4-2-9-22-20(16)26-11-3-10-24-26)14-29-18-6-1-5-17(12-18)25-21(28)15-7-8-15/h1-6,9-12,15H,7-8,13-14H2,(H,23,27)(H,25,28)
InChIKeyVLHJYIVPDZYSEZ-UHFFFAOYSA-N
XLogP2.31
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55803793
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55618585
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698154
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide (CID 38430538) is N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccnc1-n1cccn1.
What is the InChIKey of N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is VLHJYIVPDZYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(23-13-16-4-2-9-22-20(16)26-11-3-10-24-26)14-29-18-6-1-5-17(12-18)25-21(28)15-7-8-15/h1-6,9-12,15H,7-8,13-14H2,(H,23,27)(H,25,28).
What are the key properties of N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).