cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide

C20H15Cl2N5O — CID 135344639

IUPACcis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1
InChIInChI=1S/C20H15Cl2N5O/c21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t10-,12-/m1/s1
InChIKeyBEEUVRUENQZDAM-ZYHUDNBSSA-N
MW412.28 g/mol
LogP4.67
Rot. Bonds4

About cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide (PubChem CID 135344639) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
PubChem CID135344639
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Namecis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1
InChIInChI=1S/C20H15Cl2N5O/c21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t10-,12-/m1/s1
InChIKeyBEEUVRUENQZDAM-ZYHUDNBSSA-N
XLogP4.67
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide (CID 135344639) is cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide is N#CC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1.
What is the InChIKey of cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
The InChIKey is BEEUVRUENQZDAM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t10-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).