N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide

C18H17N5O3 — CID 146098608

IUPACN-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C18H17N5O3/c1-12(21-17(25)15-4-2-11-26-15)16(24)22-13-5-7-14(8-6-13)23-18-19-9-3-10-20-18/h2-12H,1H3,(H,21,25)(H,22,24)(H,19,20,23)/t12-/m0/s1
InChIKeyZDLZSGNHDBMKIE-LBPRGKRZSA-N
MW351.37 g/mol
LogP2.57
Rot. Bonds6

About N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide

N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide (PubChem CID 146098608) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
PubChem CID146098608
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C18H17N5O3/c1-12(21-17(25)15-4-2-11-26-15)16(24)22-13-5-7-14(8-6-13)23-18-19-9-3-10-20-18/h2-12H,1H3,(H,21,25)(H,22,24)(H,19,20,23)/t12-/m0/s1
InChIKeyZDLZSGNHDBMKIE-LBPRGKRZSA-N
XLogP2.57
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47289682
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide (CID 146098608) is N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide?
The InChIKey is ZDLZSGNHDBMKIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12(21-17(25)15-4-2-11-26-15)16(24)22-13-5-7-14(8-6-13)23-18-19-9-3-10-20-18/h2-12H,1H3,(H,21,25)(H,22,24)(H,19,20,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 146098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).