2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide

C28H30FN5O3 — CID 164620065

IUPAC2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3F)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H30FN5O3/c29-25-4-2-1-3-22(25)17-34-11-8-19(9-12-34)18-37-24-14-23(15-30-16-24)32-28(36)21-7-10-31-26(13-21)33-27(35)20-5-6-20/h1-4,7,10,13-16,19-20H,5-6,8-9,11-12,17-18H2,(H,32,36)(H,31,33,35)
InChIKeyYLNKOYUKDZZJOW-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.51
Rot. Bonds9

About 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 164620065) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
PubChem CID164620065
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC Name2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cncc(OCC2CCN(Cc3ccccc3F)CC2)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H30FN5O3/c29-25-4-2-1-3-22(25)17-34-11-8-19(9-12-34)18-37-24-14-23(15-30-16-24)32-28(36)21-7-10-31-26(13-21)33-27(35)20-5-6-20/h1-4,7,10,13-16,19-20H,5-6,8-9,11-12,17-18H2,(H,32,36)(H,31,33,35)
InChIKeyYLNKOYUKDZZJOW-UHFFFAOYSA-N
XLogP4.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide with MolForge

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Related Compounds

Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
2-[(Cyclopropylcarbonyl)amino]-N-(4-Methoxypyridin-3-Yl)pyridine-4-Carboxamide
CID 117072455
[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218918
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-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide (CID 164620065) is 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cncc(OCC2CCN(Cc3ccccc3F)CC2)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is YLNKOYUKDZZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c29-25-4-2-1-3-22(25)17-34-11-8-19(9-12-34)18-37-24-14-23(15-30-16-24)32-28(36)21-7-10-31-26(13-21)33-27(35)20-5-6-20/h1-4,7,10,13-16,19-20H,5-6,8-9,11-12,17-18H2,(H,32,36)(H,31,33,35).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 164620065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).