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N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide

C18H25N7O — CID 146087317

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
SMILESCNc1cc(N2CCCC2CNc2ccc(C(=O)N(C)C)cn2)ncn1
InChIInChI=1S/C18H25N7O/c1-19-16-9-17(23-12-22-16)25-8-4-5-14(25)11-21-15-7-6-13(10-20-15)18(26)24(2)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyWSXLFHGWYBNNEW-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.70
Rot. Bonds6

About N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide

N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide (PubChem CID 146087317) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
PubChem CID146087317
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
SMILESCNc1cc(N2CCCC2CNc2ccc(C(=O)N(C)C)cn2)ncn1
InChIInChI=1S/C18H25N7O/c1-19-16-9-17(23-12-22-16)25-8-4-5-14(25)11-21-15-7-6-13(10-20-15)18(26)24(2)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,20,21)(H,19,22,23)
InChIKeyWSXLFHGWYBNNEW-UHFFFAOYSA-N
XLogP1.70
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide (CID 146087317) is N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide is CNc1cc(N2CCCC2CNc2ccc(C(=O)N(C)C)cn2)ncn1.
What is the InChIKey of N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is WSXLFHGWYBNNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-19-16-9-17(23-12-22-16)25-8-4-5-14(25)11-21-15-7-6-13(10-20-15)18(26)24(2)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,20,21)(H,19,22,23).
What are the key properties of N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 146087317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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