N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide

C18H15FN4O — CID 95330210

IUPACN-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)[C@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C18H15FN4O/c1-23(18(24)16-12-20-9-10-22-16)17(15-7-2-3-8-21-15)13-5-4-6-14(19)11-13/h2-12,17H,1H3/t17-/m1/s1
InChIKeyIHYMHSZHIPKSJI-QGZVFWFLSA-N
MW322.34 g/mol
LogP2.87
Rot. Bonds4

About N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide

N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 95330210) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
PubChem CID95330210
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)[C@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C18H15FN4O/c1-23(18(24)16-12-20-9-10-22-16)17(15-7-2-3-8-21-15)13-5-4-6-14(19)11-13/h2-12,17H,1H3/t17-/m1/s1
InChIKeyIHYMHSZHIPKSJI-QGZVFWFLSA-N
XLogP2.87
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-prop-2-enylurea
CID 95330331
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823
2-(cyclopropylmethoxy)-N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylacetamide
CID 95282605
N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
CID 95145307
1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 75375178
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 52514636
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
2-(3-fluorophenoxy)-N-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 86857457
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide (CID 95330210) is N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnccn1)[C@H](c1cccc(F)c1)c1ccccn1.
What is the InChIKey of N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is IHYMHSZHIPKSJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23(18(24)16-12-20-9-10-22-16)17(15-7-2-3-8-21-15)13-5-4-6-14(19)11-13/h2-12,17H,1H3/t17-/m1/s1.
What are the key properties of N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide?
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 95330210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).