N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C24H26N4O — CID 46886480

IUPACN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-3-28(23(29)21-13-12-19-10-7-11-20(19)16-21)22-14-15-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-17H,3,7,10-11H2,1-2H3,(H,25,26,27)/t17-/m0/s1
InChIKeyTVPBFWGWHNPLGD-KRWDZBQOSA-N
MW386.50 g/mol
LogP4.81
Rot. Bonds6

About N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 46886480) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID46886480
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c1-3-28(23(29)21-13-12-19-10-7-11-20(19)16-21)22-14-15-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-17H,3,7,10-11H2,1-2H3,(H,25,26,27)/t17-/m0/s1
InChIKeyTVPBFWGWHNPLGD-KRWDZBQOSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 46886480) is N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is TVPBFWGWHNPLGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-28(23(29)21-13-12-19-10-7-11-20(19)16-21)22-14-15-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-6,8-9,12-17H,3,7,10-11H2,1-2H3,(H,25,26,27)/t17-/m0/s1.
What are the key properties of N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 46886480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).