4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide

C22H19N7O2 — CID 171626518

IUPAC4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
SMILESCOc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1ccccn1
InChIInChI=1S/C22H19N7O2/c1-31-19-14(16-8-2-4-11-24-16)7-6-9-17(19)27-21-15(20(23)30)13-26-22(29-21)28-18-10-3-5-12-25-18/h2-13H,1H3,(H2,23,30)(H2,25,26,27,28,29)
InChIKeyMBVLRVHTYOKGDZ-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.53
Rot. Bonds7

About 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide

4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 171626518) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
PubChem CID171626518
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
SMILESCOc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1ccccn1
InChIInChI=1S/C22H19N7O2/c1-31-19-14(16-8-2-4-11-24-16)7-6-9-17(19)27-21-15(20(23)30)13-26-22(29-21)28-18-10-3-5-12-25-18/h2-13H,1H3,(H2,23,30)(H2,25,26,27,28,29)
InChIKeyMBVLRVHTYOKGDZ-UHFFFAOYSA-N
XLogP3.53
TPSA127.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-methoxy-3-(3-methoxyphenyl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626678
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626655
ethyl 4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylate
CID 171626579
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-[[1-[2-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-(pyridin-2-ylamino)pyrimidine-5-carbonyl]amino]ethylamino]-3,5-dimethylpyrazol-4-yl]methylamino]pyrimidine-5-carboxamide
CID 171626668
2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxamide
CID 171626474
4-(2-methoxy-3-pyridin-3-ylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 171818573
2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
CID 142786034
4-[3-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 171818672
2-[[1-[2-[bis(2-methylpropyl)amino]ethyl]pyrazol-4-yl]amino]-4-(2-methoxy-3-pyridin-2-ylanilino)pyrimidine-5-carboxamide;4-(2-methoxy-3-pyridin-2-ylanilino)-N-methyl-2-[[1-[2-(3-methyl-5-methylidenecyclohexyl)ethyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 171818687
[4-(2-methoxy-3-pyridin-2-ylanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methanol
CID 174345548
4-[(1,5-dimethyl-18-oxatricyclo[9.8.0.012,17]nonadeca-12(17),13,15-trien-16-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626571
4-[(2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazol-7-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626605

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide (CID 171626518) is 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide is COc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1ccccn1.
What is the InChIKey of 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is MBVLRVHTYOKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-31-19-14(16-8-2-4-11-24-16)7-6-9-17(19)27-21-15(20(23)30)13-26-22(29-21)28-18-10-3-5-12-25-18/h2-13H,1H3,(H2,23,30)(H2,25,26,27,28,29).
What are the key properties of 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide?
4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 171626518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).