N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide

C22H21N5O — CID 123136749

IUPACN-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide
SMILESCC[C@H](c1ccccc1)N(C(=O)c1cccc2[nH]ccc12)c1ccnc(N)n1
InChIInChI=1S/C22H21N5O/c1-2-19(15-7-4-3-5-8-15)27(20-12-14-25-22(23)26-20)21(28)17-9-6-10-18-16(17)11-13-24-18/h3-14,19,24H,2H2,1H3,(H2,23,25,26)/t19-/m1/s1
InChIKeyDRAUHXJDXXKGOM-LJQANCHMSA-N
MW371.44 g/mol
LogP4.34
Rot. Bonds5

About N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide

N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide (PubChem CID 123136749) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide
PubChem CID123136749
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide
SMILESCC[C@H](c1ccccc1)N(C(=O)c1cccc2[nH]ccc12)c1ccnc(N)n1
InChIInChI=1S/C22H21N5O/c1-2-19(15-7-4-3-5-8-15)27(20-12-14-25-22(23)26-20)21(28)17-9-6-10-18-16(17)11-13-24-18/h3-14,19,24H,2H2,1H3,(H2,23,25,26)/t19-/m1/s1
InChIKeyDRAUHXJDXXKGOM-LJQANCHMSA-N
XLogP4.34
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide?
The IUPAC name of N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide (CID 123136749) is N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide is CC[C@H](c1ccccc1)N(C(=O)c1cccc2[nH]ccc12)c1ccnc(N)n1.
What is the InChIKey of N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide?
The InChIKey is DRAUHXJDXXKGOM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-19(15-7-4-3-5-8-15)27(20-12-14-25-22(23)26-20)21(28)17-9-6-10-18-16(17)11-13-24-18/h3-14,19,24H,2H2,1H3,(H2,23,25,26)/t19-/m1/s1.
What are the key properties of N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide?
N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopyrimidin-4-yl)-N-[(1R)-1-phenylpropyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 123136749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).