5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide

C22H21N7O — CID 146322877

IUPAC5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
SMILESCc1ccncc1-c1cc2cc(Nc3cc(C(=O)N(C)C)c(N)cn3)ncc2cn1
InChIInChI=1S/C22H21N7O/c1-13-4-5-24-11-17(13)19-6-14-7-20(26-10-15(14)9-25-19)28-21-8-16(18(23)12-27-21)22(30)29(2)3/h4-12H,23H2,1-3H3,(H,26,27,28)
InChIKeyVAPYAMKHTIAWOC-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.42
Rot. Bonds4

About 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide

5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide (PubChem CID 146322877) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
PubChem CID146322877
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
SMILESCc1ccncc1-c1cc2cc(Nc3cc(C(=O)N(C)C)c(N)cn3)ncc2cn1
InChIInChI=1S/C22H21N7O/c1-13-4-5-24-11-17(13)19-6-14-7-20(26-10-15(14)9-25-19)28-21-8-16(18(23)12-27-21)22(30)29(2)3/h4-12H,23H2,1-3H3,(H,26,27,28)
InChIKeyVAPYAMKHTIAWOC-UHFFFAOYSA-N
XLogP3.42
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide (CID 146322877) is 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide is Cc1ccncc1-c1cc2cc(Nc3cc(C(=O)N(C)C)c(N)cn3)ncc2cn1.
What is the InChIKey of 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The InChIKey is VAPYAMKHTIAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-13-4-5-24-11-17(13)19-6-14-7-20(26-10-15(14)9-25-19)28-21-8-16(18(23)12-27-21)22(30)29(2)3/h4-12H,23H2,1-3H3,(H,26,27,28).
What are the key properties of 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 146322877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).