N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide

C22H28N4O3 — CID 118929032

IUPACN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H28N4O3/c27-20(14-23-19-11-16-3-1-2-4-17(16)12-19)15-25-22(28)18-5-6-21(24-13-18)26-7-9-29-10-8-26/h1-6,13,19-20,23,27H,7-12,14-15H2,(H,25,28)/t20-/m0/s1
InChIKeyJEPWPNFDIQSGSY-FQEVSTJZSA-N
MW396.49 g/mol
LogP0.77
Rot. Bonds7

About N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 118929032) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID118929032
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H28N4O3/c27-20(14-23-19-11-16-3-1-2-4-17(16)12-19)15-25-22(28)18-5-6-21(24-13-18)26-7-9-29-10-8-26/h1-6,13,19-20,23,27H,7-12,14-15H2,(H,25,28)/t20-/m0/s1
InChIKeyJEPWPNFDIQSGSY-FQEVSTJZSA-N
XLogP0.77
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 118929032) is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is JEPWPNFDIQSGSY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-20(14-23-19-11-16-3-1-2-4-17(16)12-19)15-25-22(28)18-5-6-21(24-13-18)26-7-9-29-10-8-26/h1-6,13,19-20,23,27H,7-12,14-15H2,(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118929032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).