N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide

C19H23FN6O2 — CID 97438128

IUPACN-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C19H23FN6O2/c1-2-17(27)23-13-6-7-15(20)16(11-13)25-19(28)24-14-5-3-10-26(12-14)18-21-8-4-9-22-18/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H,23,27)(H2,24,25,28)/t14-/m0/s1
InChIKeyOKBIHLNQCAXAAZ-AWEZNQCLSA-N
MW386.43 g/mol
LogP2.75
Rot. Bonds5

About N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide

N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide (PubChem CID 97438128) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
PubChem CID97438128
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC NameN-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C19H23FN6O2/c1-2-17(27)23-13-6-7-15(20)16(11-13)25-19(28)24-14-5-3-10-26(12-14)18-21-8-4-9-22-18/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H,23,27)(H2,24,25,28)/t14-/m0/s1
InChIKeyOKBIHLNQCAXAAZ-AWEZNQCLSA-N
XLogP2.75
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide
CID 86967206
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809472
1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 55809342
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809666
N-[4-fluoro-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]propanamide
CID 97438260
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
1-[4-(5-methyltetrazol-1-yl)phenyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 125161705
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide (CID 97438128) is N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(F)c(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide?
The InChIKey is OKBIHLNQCAXAAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-2-17(27)23-13-6-7-15(20)16(11-13)25-19(28)24-14-5-3-10-26(12-14)18-21-8-4-9-22-18/h4,6-9,11,14H,2-3,5,10,12H2,1H3,(H,23,27)(H2,24,25,28)/t14-/m0/s1.
What are the key properties of N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide?
N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide has a molecular weight of 386.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 97438128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).