N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

C23H26N4O — CID 46886050

IUPACN,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCc1cccc(C(=O)N(CC)c2ccnc(N[C@@H](C)c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O/c1-4-18-10-9-13-20(16-18)22(28)27(5-2)21-14-15-24-23(26-21)25-17(3)19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,24,25,26)/t17-/m0/s1
InChIKeyKILDPOAUKNGBJP-KRWDZBQOSA-N
MW374.49 g/mol
LogP4.88
Rot. Bonds7

About N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (PubChem CID 46886050) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
PubChem CID46886050
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCc1cccc(C(=O)N(CC)c2ccnc(N[C@@H](C)c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O/c1-4-18-10-9-13-20(16-18)22(28)27(5-2)21-14-15-24-23(26-21)25-17(3)19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,24,25,26)/t17-/m0/s1
InChIKeyKILDPOAUKNGBJP-KRWDZBQOSA-N
XLogP4.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (CID 46886050) is N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is CCc1cccc(C(=O)N(CC)c2ccnc(N[C@@H](C)c3ccccc3)n2)c1.
What is the InChIKey of N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is KILDPOAUKNGBJP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-18-10-9-13-20(16-18)22(28)27(5-2)21-14-15-24-23(26-21)25-17(3)19-11-7-6-8-12-19/h6-17H,4-5H2,1-3H3,(H,24,25,26)/t17-/m0/s1.
What are the key properties of N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 46886050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).