4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide

C20H17N7O2 — CID 155673563

IUPAC4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(N3Cc4cccc(C#N)c4C3)n2)cn1
InChIInChI=1S/C20H17N7O2/c1-29-17-6-5-14(8-23-17)25-20-24-9-15(18(22)28)19(26-20)27-10-13-4-2-3-12(7-21)16(13)11-27/h2-6,8-9H,10-11H2,1H3,(H2,22,28)(H,24,25,26)
InChIKeyDAAVTMFOKBVKKW-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.11
Rot. Bonds5

About 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide

4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide (PubChem CID 155673563) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide
PubChem CID155673563
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(N)=O)c(N3Cc4cccc(C#N)c4C3)n2)cn1
InChIInChI=1S/C20H17N7O2/c1-29-17-6-5-14(8-23-17)25-20-24-9-15(18(22)28)19(26-20)27-10-13-4-2-3-12(7-21)16(13)11-27/h2-6,8-9H,10-11H2,1H3,(H2,22,28)(H,24,25,26)
InChIKeyDAAVTMFOKBVKKW-UHFFFAOYSA-N
XLogP2.11
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-2-[2-methoxy-4-(trifluoromethoxy)anilino]pyrimidine-5-carboxamide
CID 155673571
N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide
CID 59174623
2-[[5-cyano-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;hydrochloride
CID 44526756
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
2-amino-5-(2-cyano-6-methoxyanilino)benzamide
CID 107469623
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
3-[[4-(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312696
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
4-(2,6-dimethylphenyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 69070563
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 59174427
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
CID 80510972

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide (CID 155673563) is 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(N)=O)c(N3Cc4cccc(C#N)c4C3)n2)cn1.
What is the InChIKey of 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The InChIKey is DAAVTMFOKBVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-29-17-6-5-14(8-23-17)25-20-24-9-15(18(22)28)19(26-20)27-10-13-4-2-3-12(7-21)16(13)11-27/h2-6,8-9H,10-11H2,1H3,(H2,22,28)(H,24,25,26).
What are the key properties of 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide?
4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-1,3-dihydroisoindol-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 155673563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).