N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C24H32N4O — CID 11200195

IUPACN-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)Nc1nccc(N(CC2CCCCC2)C(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C24H32N4O/c1-17(2)26-24-25-14-13-22(27-24)28(16-18-7-4-3-5-8-18)23(29)21-12-11-19-9-6-10-20(19)15-21/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,26,27)
InChIKeyHWRHDOKSUVFUTR-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.01
Rot. Bonds6

About N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 11200195) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID11200195
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)Nc1nccc(N(CC2CCCCC2)C(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C24H32N4O/c1-17(2)26-24-25-14-13-22(27-24)28(16-18-7-4-3-5-8-18)23(29)21-12-11-19-9-6-10-20(19)15-21/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,26,27)
InChIKeyHWRHDOKSUVFUTR-UHFFFAOYSA-N
XLogP5.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 11200195) is N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is CC(C)Nc1nccc(N(CC2CCCCC2)C(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HWRHDOKSUVFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-17(2)26-24-25-14-13-22(27-24)28(16-18-7-4-3-5-8-18)23(29)21-12-11-19-9-6-10-20(19)15-21/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,26,27).
What are the key properties of N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 11200195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).