N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

C21H25N7O — CID 146112136

IUPACN,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ccnc4cccnc34)C2)c1C
InChIInChI=1S/C21H25N7O/c1-13-14(2)24-19(21(29)27(3)4)26-20(13)28-11-8-15(12-28)25-17-7-10-22-16-6-5-9-23-18(16)17/h5-7,9-10,15H,8,11-12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeyDDJWGWJHQDKMKZ-OAHLLOKOSA-N
MW391.48 g/mol
LogP2.43
Rot. Bonds4

About N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146112136) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID146112136
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ccnc4cccnc34)C2)c1C
InChIInChI=1S/C21H25N7O/c1-13-14(2)24-19(21(29)27(3)4)26-20(13)28-11-8-15(12-28)25-17-7-10-22-16-6-5-9-23-18(16)17/h5-7,9-10,15H,8,11-12H2,1-4H3,(H,22,25)/t15-/m1/s1
InChIKeyDDJWGWJHQDKMKZ-OAHLLOKOSA-N
XLogP2.43
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(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-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146102435
4-[(3R)-3-[(2-ethyl-1,2,4-triazol-3-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167812703
4-[(3R)-3-[(6-cyano-3-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112150
N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112323
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-[(6-cyano-5-methyl-2-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112144
4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
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-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167840248
4-[(3R)-3-[[3-(methoxymethyl)phenyl]methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111892

Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146112136) is N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ccnc4cccnc34)C2)c1C.
What is the InChIKey of N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is DDJWGWJHQDKMKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13-14(2)24-19(21(29)27(3)4)26-20(13)28-11-8-15(12-28)25-17-7-10-22-16-6-5-9-23-18(16)17/h5-7,9-10,15H,8,11-12H2,1-4H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146112136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).