2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide

C22H25N7O2 — CID 90433875

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2cnccc2NC(=O)c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cn1
InChIInChI=1S/C22H25N7O2/c1-14-4-5-18(10-24-14)27-20-11-23-7-6-19(20)28-21(30)17-8-25-22(26-9-17)29-12-15(2)31-16(3)13-29/h4-11,15-16,27H,12-13H2,1-3H3,(H,23,28,30)/t15-,16+
InChIKeyMUCYMSXTLNIJLV-IYBDPMFKSA-N
MW419.49 g/mol
LogP3.18
Rot. Bonds5

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide (PubChem CID 90433875) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide
PubChem CID90433875
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2cnccc2NC(=O)c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cn1
InChIInChI=1S/C22H25N7O2/c1-14-4-5-18(10-24-14)27-20-11-23-7-6-19(20)28-21(30)17-8-25-22(26-9-17)29-12-15(2)31-16(3)13-29/h4-11,15-16,27H,12-13H2,1-3H3,(H,23,28,30)/t15-,16+
InChIKeyMUCYMSXTLNIJLV-IYBDPMFKSA-N
XLogP3.18
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(4-chloroanilino)-4-pyridinyl]-2-(3-oxopiperazin-1-yl)pyrimidine-5-carboxamide
CID 90417805
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 90418118
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide (CID 90433875) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide is Cc1ccc(Nc2cnccc2NC(=O)c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cn1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide?
The InChIKey is MUCYMSXTLNIJLV-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-4-5-18(10-24-14)27-20-11-23-7-6-19(20)28-21(30)17-8-25-22(26-9-17)29-12-15(2)31-16(3)13-29/h4-11,15-16,27H,12-13H2,1-3H3,(H,23,28,30)/t15-,16+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90433875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).