2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide

C18H18F2N4O4 — CID 87688831

IUPAC2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OCC(F)F)[nH]c1=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H18F2N4O4/c19-13(20)9-28-15-4-3-12(18(27)24-15)8-22-16(25)11-5-6-21-14(7-11)23-17(26)10-1-2-10/h3-7,10,13H,1-2,8-9H2,(H,22,25)(H,24,27)(H,21,23,26)
InChIKeySFFSWHSFODNLOH-UHFFFAOYSA-N
MW392.36 g/mol
LogP1.69
Rot. Bonds8

About 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 87688831) has the molecular formula C18H18F2N4O4 and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID87688831
Molecular FormulaC18H18F2N4O4
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OCC(F)F)[nH]c1=O)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H18F2N4O4/c19-13(20)9-28-15-4-3-12(18(27)24-15)8-22-16(25)11-5-6-21-14(7-11)23-17(26)10-1-2-10/h3-7,10,13H,1-2,8-9H2,(H,22,25)(H,24,27)(H,21,23,26)
InChIKeySFFSWHSFODNLOH-UHFFFAOYSA-N
XLogP1.69
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
2-acetamido-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyridine-4-carboxamide
CID 87426496
2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
CID 138989560
2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 136582776
N-[4-[3-(2-methoxyethyl)azetidine-1-carbonyl]-2-pyridinyl]cyclopropanecarboxamide
CID 138000668
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
CID 87426273
2-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 155408184
2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
CID 136541956
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide (CID 87688831) is 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(OCC(F)F)[nH]c1=O)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is SFFSWHSFODNLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4/c19-13(20)9-28-15-4-3-12(18(27)24-15)8-22-16(25)11-5-6-21-14(7-11)23-17(26)10-1-2-10/h3-7,10,13H,1-2,8-9H2,(H,22,25)(H,24,27)(H,21,23,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 87688831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).