2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide

C24H25N7O2 — CID 168750227

IUPAC2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2cc3cc(C)c(N)nc3cn2)[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C24H25N7O2/c1-4-33-19-7-6-18(28-12-19)14-31(16(3)23-26-8-5-9-27-23)24(32)20-11-17-10-15(2)22(25)30-21(17)13-29-20/h5-13,16H,4,14H2,1-3H3,(H2,25,30)/t16-/m1/s1
InChIKeyCHYNUFFQIKHSET-MRXNPFEDSA-N
MW443.51 g/mol
LogP3.51
Rot. Bonds7

About 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide

2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide (PubChem CID 168750227) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide
PubChem CID168750227
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2cc3cc(C)c(N)nc3cn2)[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C24H25N7O2/c1-4-33-19-7-6-18(28-12-19)14-31(16(3)23-26-8-5-9-27-23)24(32)20-11-17-10-15(2)22(25)30-21(17)13-29-20/h5-13,16H,4,14H2,1-3H3,(H2,25,30)/t16-/m1/s1
InChIKeyCHYNUFFQIKHSET-MRXNPFEDSA-N
XLogP3.51
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide (CID 168750227) is 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide is CCOc1ccc(CN(C(=O)c2cc3cc(C)c(N)nc3cn2)[C@H](C)c2ncccn2)nc1.
What is the InChIKey of 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide?
The InChIKey is CHYNUFFQIKHSET-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-4-33-19-7-6-18(28-12-19)14-31(16(3)23-26-8-5-9-27-23)24(32)20-11-17-10-15(2)22(25)30-21(17)13-29-20/h5-13,16H,4,14H2,1-3H3,(H2,25,30)/t16-/m1/s1.
What are the key properties of 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide?
2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 168750227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).