trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C24H22N6O2 — CID 135344393

IUPACtrans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNc1nc(-c2cnccc2CCO)cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12
InChIInChI=1S/C24H22N6O2/c25-23-20-13-28-22(30-24(32)18-10-17(18)15-2-1-5-26-11-15)9-16(20)8-21(29-23)19-12-27-6-3-14(19)4-7-31/h1-3,5-6,8-9,11-13,17-18,31H,4,7,10H2,(H2,25,29)(H,28,30,32)/t17-,18+/m0/s1
InChIKeyUFTKYRHLGXXMQX-ZWKOTPCHSA-N
MW426.48 g/mol
LogP2.95
Rot. Bonds6

About trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 135344393) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID135344393
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNc1nc(-c2cnccc2CCO)cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12
InChIInChI=1S/C24H22N6O2/c25-23-20-13-28-22(30-24(32)18-10-17(18)15-2-1-5-26-11-15)9-16(20)8-21(29-23)19-12-27-6-3-14(19)4-7-31/h1-3,5-6,8-9,11-13,17-18,31H,4,7,10H2,(H2,25,29)(H,28,30,32)/t17-,18+/m0/s1
InChIKeyUFTKYRHLGXXMQX-ZWKOTPCHSA-N
XLogP2.95
TPSA126.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 135344393) is trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Nc1nc(-c2cnccc2CCO)cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is UFTKYRHLGXXMQX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-23-20-13-28-22(30-24(32)18-10-17(18)15-2-1-5-26-11-15)9-16(20)8-21(29-23)19-12-27-6-3-14(19)4-7-31/h1-3,5-6,8-9,11-13,17-18,31H,4,7,10H2,(H2,25,29)(H,28,30,32)/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 135344393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).