cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide

C23H25N5O2 — CID 135344669

IUPACcis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)ncc2c(N)n1
InChIInChI=1S/C23H25N5O2/c1-13-2-5-25-11-18(13)20-8-15-9-21(26-12-19(15)22(24)27-20)28-23(29)17-10-16(17)14-3-6-30-7-4-14/h2,5,8-9,11-12,14,16-17H,3-4,6-7,10H2,1H3,(H2,24,27)(H,26,28,29)/t16-,17+/m1/s1
InChIKeyGLABWFHIQFOGCB-SJORKVTESA-N
MW403.49 g/mol
LogP3.58
Rot. Bonds4

About cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344669) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
PubChem CID135344669
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Namecis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)ncc2c(N)n1
InChIInChI=1S/C23H25N5O2/c1-13-2-5-25-11-18(13)20-8-15-9-21(26-12-19(15)22(24)27-20)28-23(29)17-10-16(17)14-3-6-30-7-4-14/h2,5,8-9,11-12,14,16-17H,3-4,6-7,10H2,1H3,(H2,24,27)(H,26,28,29)/t16-,17+/m1/s1
InChIKeyGLABWFHIQFOGCB-SJORKVTESA-N
XLogP3.58
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide (CID 135344669) is cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C3CCOCC3)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GLABWFHIQFOGCB-SJORKVTESA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13-2-5-25-11-18(13)20-8-15-9-21(26-12-19(15)22(24)27-20)28-23(29)17-10-16(17)14-3-6-30-7-4-14/h2,5,8-9,11-12,14,16-17H,3-4,6-7,10H2,1H3,(H2,24,27)(H,26,28,29)/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).