N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide

C22H27N5O3 — CID 118644327

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
SMILESCC(C)c1cc2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2o1
InChIInChI=1S/C22H27N5O3/c1-12(2)20-8-16-19(30-20)5-4-15(25-16)22(29)26-17-9-24-7-6-18(17)27-10-13(3)21(28)14(23)11-27/h4-9,12-14,21,28H,10-11,23H2,1-3H3,(H,26,29)/t13-,14+,21+/m0/s1
InChIKeyGLYWPANTIWPDCD-PXIJXODZSA-N
MW409.49 g/mol
LogP2.74
Rot. Bonds4

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide (PubChem CID 118644327) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
PubChem CID118644327
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide
SMILESCC(C)c1cc2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2o1
InChIInChI=1S/C22H27N5O3/c1-12(2)20-8-16-19(30-20)5-4-15(25-16)22(29)26-17-9-24-7-6-18(17)27-10-13(3)21(28)14(23)11-27/h4-9,12-14,21,28H,10-11,23H2,1-3H3,(H,26,29)/t13-,14+,21+/m0/s1
InChIKeyGLYWPANTIWPDCD-PXIJXODZSA-N
XLogP2.74
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide (CID 118644327) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide is CC(C)c1cc2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2o1.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
The InChIKey is GLYWPANTIWPDCD-PXIJXODZSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-12(2)20-8-16-19(30-20)5-4-15(25-16)22(29)26-17-9-24-7-6-18(17)27-10-13(3)21(28)14(23)11-27/h4-9,12-14,21,28H,10-11,23H2,1-3H3,(H,26,29)/t13-,14+,21+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-propan-2-ylfuro[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).