N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C17H13FN4O3 — CID 99947033

IUPACN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)15(11-5-7-19-8-6-11)22-16(24)13-9-14(23)21-17(25)20-13/h1-9,15H,(H,22,24)(H2,20,21,23,25)/t15-/m1/s1
InChIKeyISTHBMQLFSKDEX-OAHLLOKOSA-N
MW340.31 g/mol
LogP1.12
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 99947033) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID99947033
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)15(11-5-7-19-8-6-11)22-16(24)13-9-14(23)21-17(25)20-13/h1-9,15H,(H,22,24)(H2,20,21,23,25)/t15-/m1/s1
InChIKeyISTHBMQLFSKDEX-OAHLLOKOSA-N
XLogP1.12
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-chloro-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1H-pyrazole-5-carboxamide
CID 77093097
N-[(4-fluorophenyl)-phenylmethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86926449
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97328744
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-(2-amino-5-fluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 63257428
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
3-fluoro-5-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]benzoic acid
CID 110452398
3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95758302
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 99947033) is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is ISTHBMQLFSKDEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-3-1-10(2-4-12)15(11-5-7-19-8-6-11)22-16(24)13-9-14(23)21-17(25)20-13/h1-9,15H,(H,22,24)(H2,20,21,23,25)/t15-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 99947033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).