6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide

C23H27N5O — CID 59446927

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H27N5O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29)
InChIKeyZSGVLLMQEXJKJS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.76
Rot. Bonds6

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide (PubChem CID 59446927) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
PubChem CID59446927
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C23H27N5O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29)
InChIKeyZSGVLLMQEXJKJS-UHFFFAOYSA-N
XLogP4.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide (CID 59446927) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is ZSGVLLMQEXJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(27-20-8-4-7-19-18(20)11-12-24-19)21-13-22(26-15-25-21)28(14-16-9-10-16)17-5-2-1-3-6-17/h4,7-8,11-13,15-17,24H,1-3,5-6,9-10,14H2,(H,27,29).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59446927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).