4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide

C22H29N7O2 — CID 66783663

IUPAC4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(Nc2ncc(C(N)=O)c(NCC3CC3)n2)cc1
InChIInChI=1S/C22H29N7O2/c1-24-21(31)18-4-2-3-11-29(18)16-9-7-15(8-10-16)27-22-26-13-17(19(23)30)20(28-22)25-12-14-5-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,28)
InChIKeyNWRVZMMNDSHDNA-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.25
Rot. Bonds8

About 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide

4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide (PubChem CID 66783663) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
PubChem CID66783663
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(Nc2ncc(C(N)=O)c(NCC3CC3)n2)cc1
InChIInChI=1S/C22H29N7O2/c1-24-21(31)18-4-2-3-11-29(18)16-9-7-15(8-10-16)27-22-26-13-17(19(23)30)20(28-22)25-12-14-5-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,28)
InChIKeyNWRVZMMNDSHDNA-UHFFFAOYSA-N
XLogP2.25
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(tert-butylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 66783340
4-(benzylamino)-2-[4-[(2S)-2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014829
4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 66783455
4-(5-hydroxypentylamino)-2-[4-[3-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 44540264
4-(cyclopropylamino)-2-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014756
tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 58014784
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(2-cyanoethylamino)pyrimidine-5-carboxamide
CID 66783466
4-(cyclopropylmethylamino)-2-[[(3S)-3-hydroxy-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl]amino]pyrimidine-5-carboxamide;sulfane
CID 160588197
4-(cyclopropylamino)-2-[4-[4-(2-methoxyacetyl)piperazin-1-yl]anilino]pyrimidine-5-carboxamide
CID 44594663
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide (CID 66783663) is 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide is CNC(=O)C1CCCCN1c1ccc(Nc2ncc(C(N)=O)c(NCC3CC3)n2)cc1.
What is the InChIKey of 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide?
The InChIKey is NWRVZMMNDSHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-24-21(31)18-4-2-3-11-29(18)16-9-7-15(8-10-16)27-22-26-13-17(19(23)30)20(28-22)25-12-14-5-6-14/h7-10,13-14,18H,2-6,11-12H2,1H3,(H2,23,30)(H,24,31)(H2,25,26,27,28).
What are the key properties of 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide?
4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66783663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).