2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide

C21H18N4O3 — CID 118064282

IUPAC2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(Oc2ccccc2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H18N4O3/c26-20(14-6-7-14)25-19-10-15(8-9-23-19)21(27)24-16-11-18(13-22-12-16)28-17-4-2-1-3-5-17/h1-5,8-14H,6-7H2,(H,24,27)(H,23,25,26)
InChIKeyRLTOZIYWOZGTNG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.87
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 118064282) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide
PubChem CID118064282
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1cncc(Oc2ccccc2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H18N4O3/c26-20(14-6-7-14)25-19-10-15(8-9-23-19)21(27)24-16-11-18(13-22-12-16)28-17-4-2-1-3-5-17/h1-5,8-14H,6-7H2,(H,24,27)(H,23,25,26)
InChIKeyRLTOZIYWOZGTNG-UHFFFAOYSA-N
XLogP3.87
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-[(Cyclopropylcarbonyl)amino]-N-(4-Methoxypyridin-3-Yl)pyridine-4-Carboxamide
CID 117072455
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028706
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779
2-(cyclopropanecarbonylamino)-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
CID 164623938
Nevirapin 4-substituted deriv. 4c
CID 464523
Nevirapin 4-substituted deriv. 4p
CID 464536
Nevirapin 4-substituted deriv. 4r
CID 464538
Nevirapin 4-substituted deriv. 4u
CID 464541

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide (CID 118064282) is 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide is O=C(Nc1cncc(Oc2ccccc2)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is RLTOZIYWOZGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-20(14-6-7-14)25-19-10-15(8-9-23-19)21(27)24-16-11-18(13-22-12-16)28-17-4-2-1-3-5-17/h1-5,8-14H,6-7H2,(H,24,27)(H,23,25,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(5-phenoxy-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 118064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).