4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

C20H25N7O — CID 146112150

IUPAC4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1ccc(C#N)nc1N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C20H25N7O/c1-12-6-7-15(10-21)23-17(12)24-16-8-9-27(11-16)19-13(2)14(3)22-18(25-19)20(28)26(4)5/h6-7,16H,8-9,11H2,1-5H3,(H,23,24)/t16-/m1/s1
InChIKeyIHAJWAUFVLHCAC-MRXNPFEDSA-N
MW379.47 g/mol
LogP2.06
Rot. Bonds4

About 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146112150) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID146112150
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1ccc(C#N)nc1N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C20H25N7O/c1-12-6-7-15(10-21)23-17(12)24-16-8-9-27(11-16)19-13(2)14(3)22-18(25-19)20(28)26(4)5/h6-7,16H,8-9,11H2,1-5H3,(H,23,24)/t16-/m1/s1
InChIKeyIHAJWAUFVLHCAC-MRXNPFEDSA-N
XLogP2.06
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[(6-cyano-5-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112144
4-[(3R)-3-[(2-cyano-4-methyl-3-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112102
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[(5,6-dimethylpyrazin-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167755351
N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112136
4-[(3R)-3-[(2-ethyl-1,2,4-triazol-3-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167812703
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112026
4-[(3R)-3-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112359
4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111990
4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112295
N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146102435
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146112150) is 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is Cc1ccc(C#N)nc1N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1.
What is the InChIKey of 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is IHAJWAUFVLHCAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12-6-7-15(10-21)23-17(12)24-16-8-9-27(11-16)19-13(2)14(3)22-18(25-19)20(28)26(4)5/h6-7,16H,8-9,11H2,1-5H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146112150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).