N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide

C23H27N3O2 — CID 97401003

IUPACN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccncc1
InChIInChI=1S/C23H27N3O2/c27-22(18-7-11-24-12-8-18)25-20-15-23(28-21-4-2-1-3-19(20)21)9-13-26(14-10-23)16-17-5-6-17/h1-4,7-8,11-12,17,20H,5-6,9-10,13-16H2,(H,25,27)/t20-/m1/s1
InChIKeyBTNADECEIFQYQT-HXUWFJFHSA-N
MW377.49 g/mol
LogP3.58
Rot. Bonds4

About N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide

N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide (PubChem CID 97401003) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
PubChem CID97401003
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccncc1
InChIInChI=1S/C23H27N3O2/c27-22(18-7-11-24-12-8-18)25-20-15-23(28-21-4-2-1-3-19(20)21)9-13-26(14-10-23)16-17-5-6-17/h1-4,7-8,11-12,17,20H,5-6,9-10,13-16H2,(H,25,27)/t20-/m1/s1
InChIKeyBTNADECEIFQYQT-HXUWFJFHSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyrazine-2-carboxamide
CID 97401005
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
CID 110212852
N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 124628933
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
CID 119815673

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide (CID 97401003) is N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21)c1ccncc1.
What is the InChIKey of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide?
The InChIKey is BTNADECEIFQYQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(18-7-11-24-12-8-18)25-20-15-23(28-21-4-2-1-3-19(20)21)9-13-26(14-10-23)16-17-5-6-17/h1-4,7-8,11-12,17,20H,5-6,9-10,13-16H2,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide?
N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).