(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide

C16H17FN4O3 — CID 95326110

IUPAC(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
SMILESC[C@@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN4O3/c1-10(21-16(18)23)15(22)20-9-11-6-7-19-14(8-11)24-13-4-2-12(17)3-5-13/h2-8,10H,9H2,1H3,(H,20,22)(H3,18,21,23)/t10-/m1/s1
InChIKeyVPIPTIGJIOZMHK-SNVBAGLBSA-N
MW332.34 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide

(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide (PubChem CID 95326110) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
PubChem CID95326110
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide
SMILESC[C@@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN4O3/c1-10(21-16(18)23)15(22)20-9-11-6-7-19-14(8-11)24-13-4-2-12(17)3-5-13/h2-8,10H,9H2,1H3,(H,20,22)(H3,18,21,23)/t10-/m1/s1
InChIKeyVPIPTIGJIOZMHK-SNVBAGLBSA-N
XLogP1.69
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155906
(2R)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155907
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001503
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
4-fluoro-N-[1-[(2-methoxy-4-pyridinyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55540257
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide (CID 95326110) is (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide is C[C@@H](NC(N)=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide?
The InChIKey is VPIPTIGJIOZMHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-10(21-16(18)23)15(22)20-9-11-6-7-19-14(8-11)24-13-4-2-12(17)3-5-13/h2-8,10H,9H2,1H3,(H,20,22)(H3,18,21,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide?
(2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide has a molecular weight of 332.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 95326110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).