2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate

C38H51N9O6 — CID 161304156

IUPAC2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate
SMILESCC(C)(C)Nc1nc(Nc2cc(C(C)(C)O)ccn2)cc2ccn(CCO)c(=O)c12.CC(C)(O)c1ccnc(N)c1.CCOC(=O)c1ccnc(N)c1
InChIInChI=1S/C22H29N5O3.C8H10N2O2.C8H12N2O/c1-21(2,3)26-19-18-14(7-9-27(10-11-28)20(18)29)12-17(25-19)24-16-13-15(6-8-23-16)22(4,5)30;1-2-12-8(11)6-3-4-10-7(9)5-6;1-8(2,11)6-3-4-10-7(9)5-6/h6-9,12-13,28,30H,10-11H2,1-5H3,(H2,23,24,25,26);3-5H,2H2,1H3,(H2,9,10);3-5,11H,1-2H3,(H2,9,10)
InChIKeyVIACZYGEVNQWBT-UHFFFAOYSA-N
MW729.88 g/mol
LogP4.70
Rot. Bonds9

About 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate

2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate (PubChem CID 161304156) has the molecular formula C38H51N9O6 and a molecular weight of 729.88 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate
PubChem CID161304156
Molecular FormulaC38H51N9O6
Molecular Weight729.88 g/mol
Exact Mass729.40
IUPAC Name2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate
SMILESCC(C)(C)Nc1nc(Nc2cc(C(C)(C)O)ccn2)cc2ccn(CCO)c(=O)c12.CC(C)(O)c1ccnc(N)c1.CCOC(=O)c1ccnc(N)c1
InChIInChI=1S/C22H29N5O3.C8H10N2O2.C8H12N2O/c1-21(2,3)26-19-18-14(7-9-27(10-11-28)20(18)29)12-17(25-19)24-16-13-15(6-8-23-16)22(4,5)30;1-2-12-8(11)6-3-4-10-7(9)5-6;1-8(2,11)6-3-4-10-7(9)5-6/h6-9,12-13,28,30H,10-11H2,1-5H3,(H2,23,24,25,26);3-5H,2H2,1H3,(H2,9,10);3-5,11H,1-2H3,(H2,9,10)
InChIKeyVIACZYGEVNQWBT-UHFFFAOYSA-N
XLogP4.70
TPSA236.65 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 54.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate?
The IUPAC name of 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate (CID 161304156) is 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate?
The canonical SMILES for 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate is CC(C)(C)Nc1nc(Nc2cc(C(C)(C)O)ccn2)cc2ccn(CCO)c(=O)c12.CC(C)(O)c1ccnc(N)c1.CCOC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate?
The InChIKey is VIACZYGEVNQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C8H10N2O2.C8H12N2O/c1-21(2,3)26-19-18-14(7-9-27(10-11-28)20(18)29)12-17(25-19)24-16-13-15(6-8-23-16)22(4,5)30;1-2-12-8(11)6-3-4-10-7(9)5-6;1-8(2,11)6-3-4-10-7(9)5-6/h6-9,12-13,28,30H,10-11H2,1-5H3,(H2,23,24,25,26);3-5H,2H2,1H3,(H2,9,10);3-5,11H,1-2H3,(H2,9,10).
What are the key properties of 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate?
2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate has a molecular weight of 729.88 g/mol, XLogP of 4.70, 9 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)propan-2-ol;8-(tert-butylamino)-2-(2-hydroxyethyl)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-2,7-naphthyridin-1-one;ethyl 2-aminopyridine-4-carboxylate is sourced from PubChem (CID 161304156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).