(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide

C20H18N4O — CID 146690514

IUPAC(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2c1CC[C@@H]2Nc1ncccn1
InChIInChI=1S/C20H18N4O/c25-19(23-14-6-2-1-3-7-14)17-9-4-8-16-15(17)10-11-18(16)24-20-21-12-5-13-22-20/h1-9,12-13,18H,10-11H2,(H,23,25)(H,21,22,24)/t18-/m0/s1
InChIKeyQFRWWRMJHKKTGR-SFHVURJKSA-N
MW330.39 g/mol
LogP3.83
Rot. Bonds4

About (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide

(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 146690514) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID146690514
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2c1CC[C@@H]2Nc1ncccn1
InChIInChI=1S/C20H18N4O/c25-19(23-14-6-2-1-3-7-14)17-9-4-8-16-15(17)10-11-18(16)24-20-21-12-5-13-22-20/h1-9,12-13,18H,10-11H2,(H,23,25)(H,21,22,24)/t18-/m0/s1
InChIKeyQFRWWRMJHKKTGR-SFHVURJKSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 146690514) is (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1ccccc1)c1cccc2c1CC[C@@H]2Nc1ncccn1.
What is the InChIKey of (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is QFRWWRMJHKKTGR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N4O/c25-19(23-14-6-2-1-3-7-14)17-9-4-8-16-15(17)10-11-18(16)24-20-21-12-5-13-22-20/h1-9,12-13,18H,10-11H2,(H,23,25)(H,21,22,24)/t18-/m0/s1.
What are the key properties of (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 146690514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).