(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide

C16H18N4O — CID 129378770

IUPAC(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncccn1)N1C[C@H](C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-11-10-20(14-7-4-3-6-13(11)14)12(2)15(21)19-16-17-8-5-9-18-16/h3-9,11-12H,10H2,1-2H3,(H,17,18,19,21)/t11-,12+/m0/s1
InChIKeyCHNLWAPDXVOGEZ-NWDGAFQWSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds3

About (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide

(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 129378770) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID129378770
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ncccn1)N1C[C@H](C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-11-10-20(14-7-4-3-6-13(11)14)12(2)15(21)19-16-17-8-5-9-18-16/h3-9,11-12H,10H2,1-2H3,(H,17,18,19,21)/t11-,12+/m0/s1
InChIKeyCHNLWAPDXVOGEZ-NWDGAFQWSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide (CID 129378770) is (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide is C[C@H](C(=O)Nc1ncccn1)N1C[C@H](C)c2ccccc21.
What is the InChIKey of (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is CHNLWAPDXVOGEZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-10-20(14-7-4-3-6-13(11)14)12(2)15(21)19-16-17-8-5-9-18-16/h3-9,11-12H,10H2,1-2H3,(H,17,18,19,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide?
(2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-methyl-2,3-dihydroindol-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 129378770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).