(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide

C15H15N3O2 — CID 57429972

IUPAC(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
SMILESN[C@H]1CCOc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C15H15N3O2/c16-13-5-8-20-14-9-10(1-2-12(13)14)15(19)18-11-3-6-17-7-4-11/h1-4,6-7,9,13H,5,8,16H2,(H,17,18,19)/t13-/m0/s1
InChIKeyXDHBMLDHBBGMJZ-ZDUSSCGKSA-N
MW269.30 g/mol
LogP2.12
Rot. Bonds2

About (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide

(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide (PubChem CID 57429972) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide.

Molecular Properties

Compound Name(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
PubChem CID57429972
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
SMILESN[C@H]1CCOc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C15H15N3O2/c16-13-5-8-20-14-9-10(1-2-12(13)14)15(19)18-11-3-6-17-7-4-11/h1-4,6-7,9,13H,5,8,16H2,(H,17,18,19)/t13-/m0/s1
InChIKeyXDHBMLDHBBGMJZ-ZDUSSCGKSA-N
XLogP2.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-N-pyridin-4-ylsulfanyl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57452053
5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
CID 69044545
5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3,4,5-tetrahydro-1-benzoxepine-8-carboxamide
CID 22337386
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 20824455
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
(2S,5R)-5-(aminomethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120799454
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-[amino-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537341
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide?
The IUPAC name of (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide (CID 57429972) is (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide.
What is the SMILES notation for (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide?
The canonical SMILES for (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide is N[C@H]1CCOc2cc(C(=O)Nc3ccncc3)ccc21.
What is the InChIKey of (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide?
The InChIKey is XDHBMLDHBBGMJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-13-5-8-20-14-9-10(1-2-12(13)14)15(19)18-11-3-6-17-7-4-11/h1-4,6-7,9,13H,5,8,16H2,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide?
(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide is sourced from PubChem (CID 57429972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).